MS402

CAT: 0926-XRC68468-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-XRC68468-03Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1672684-68-2

Smiles

CC1=C (CCC1=O) NC2=C (C=C (C=C2) C (=O) NC3=CC=C (C=C3) OC) Cl

Molecular Formula

C20H19ClN2O3

Molecular Weight

370.8 g/mol

Controlled

Chemical Information

3-Chloranyl-~{n}-(4-Methoxyphenyl)-4-[(2-Methyl-3-Oxidanylidene-Cyclopenten-1-Yl)amino]benzamide

CAS Number	1672684-68-2
PubChem CID	90718189
IUPAC Name	3-chloro-N-(4-methoxyphenyl)-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]benzamide
Molecular Formula	C20H19ClN2O3
Molecular Weight	370.8
XLogP	3.6
Topological Polar Surface Area	67.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	569

SMILES

CC1=C(CCC1=O)NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C20H19ClN2O3/c1-12-17(9-10-19(12)24)23-18-8-3-13(11-16(18)21)20(25)22-14-4-6-15(26-2)7-5-14/h3-8,11,23H,9-10H2,1-2H3,(H,22,25)

InChIKey

VZTVTSICPINUNG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1672684-68-2

CID: 90718189

Formula: C20H19ClN2O3

MW: 370.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	370.8
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	370.1084202
Monoisotopic Mass	370.1084202
Topological Polar Surface Area	67.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	569
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