GDC046

CAT: 0926-IAC29264-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-IAC29264-01Size:10 mg

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CAS Number

1258292-64-6

MDL Number

MFCD28155087

Smiles

C1CC1C (=O) NC2=NC=CC (=C2) NC (=O) C3=C (C=CC=C3Cl) Cl

Molecular Formula

C16H13Cl2N3O2

Molecular Weight

350.2 g/mol

Controlled

Chemical Information

2,6-Dichloro-N-{2-[(Cyclopropylcarbonyl)amino]pyridin-4-Yl}benzamide

CAS Number	1258292-64-6
PubChem CID	49839561
IUPAC Name	2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
Molecular Formula	C16H13Cl2N3O2
Molecular Weight	350.2
XLogP	2.9
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	449

SMILES

C1CC1C(=O)NC2=NC=CC(=C2)NC(=O)C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23)

InChIKey

IAFNAEGXTKTGHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1258292-64-6

CID: 49839561

Formula: C16H13Cl2N3O2

MW: 350.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	350.2
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	349.0384821
Monoisotopic Mass	349.0384821
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	449
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