N- (4-methylphenyl) indolinylformamide

CAT: 0926-PDA73185Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-PDA73185Size:250 mg

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CAS Number

89731-85-1

MDL Number

MFCD02607589

Smiles

CC1=CC=C (C=C1) NC (=O) N2CCC3=CC=CC=C32

Molecular Formula

C16H16N2O

Molecular Weight

252.31 g/mol

Controlled

Chemical Information

1H-Indole-1-carboxamide, 2,3-dihydro-N-(4-methylphenyl)-

CAS Number	89731-85-1
PubChem CID	1225695
IUPAC Name	N-(4-methylphenyl)-2,3-dihydroindole-1-carboxamide
Molecular Formula	C16H16N2O
Molecular Weight	252.31
XLogP	3.1
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	323

SMILES

CC1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C16H16N2O/c1-12-6-8-14(9-7-12)17-16(19)18-11-10-13-4-2-3-5-15(13)18/h2-9H,10-11H2,1H3,(H,17,19)

InChIKey

GOARQAIUWMZDRT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89731-85-1

CID: 1225695

Formula: C16H16N2O

MW: 252.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.31
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	252.126263138
Monoisotopic Mass	252.126263138
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	323
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PDA73186	N- (2-methylphenyl) indolinylformamide
ELB80801	N- (4-ethoxyphenyl) indolinylformamide
PDA73181	N- (4-chlorophenyl) indolinylformamide
ELB80793	N- (2-ethoxyphenyl) indolinylformamide
FDA49084	N- (4-methylphenyl) (4- (N- (4-methylphenyl) carbamoyl) piperazinyl) formamide
KDB32923	N- (4-methylphenyl) (4- (N- (4-methylphenyl) carbamoyl) (1,4-diazaperhydroepinyl) ) formamide
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EAA91756	N- (4-Methylphenyl) sulfonylformamide
GAA31165-01	N- (4-Methylphenyl) benzenesulfonamide
AAA58278	N- (4-Methylphenyl) benzamide

Catalog	Name
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