2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide

C16H13Cl2N3O — CID 134013348

IUPAC2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESN#CCCN(Cc1cccnc1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H13Cl2N3O/c17-14-6-1-5-13(15(14)18)16(22)21(9-3-7-19)11-12-4-2-8-20-10-12/h1-2,4-6,8,10H,3,9,11H2
InChIKeyXCHPLCWOUXRTIH-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.94
Rot. Bonds5

About 2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide

2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 134013348) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID134013348
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide
SMILESN#CCCN(Cc1cccnc1)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H13Cl2N3O/c17-14-6-1-5-13(15(14)18)16(22)21(9-3-7-19)11-12-4-2-8-20-10-12/h1-2,4-6,8,10H,3,9,11H2
InChIKeyXCHPLCWOUXRTIH-UHFFFAOYSA-N
XLogP3.94
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-cyanoethyl)-4-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 134013347
N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
CID 43911621
N-(2-cyanoethyl)-6-fluoro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 115496717
1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-(pyridin-3-ylmethyl)urea
CID 2282452
2-bromo-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 103752639
4-bromo-N-(2-cyanoethyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 99157401
2-hydroxyethyl N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)carbamate
CID 79346037
2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802
1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115667786
N-(2-cyanoethyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 43582269
3-chloro-N-(2-cyanoethyl)-4-ethoxy-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 78805528
5-bromo-2-chloro-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]benzamide
CID 2377960

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide (CID 134013348) is 2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide is N#CCCN(Cc1cccnc1)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is XCHPLCWOUXRTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c17-14-6-1-5-13(15(14)18)16(22)21(9-3-7-19)11-12-4-2-8-20-10-12/h1-2,4-6,8,10H,3,9,11H2.
What are the key properties of 2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide?
2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 334.21 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 134013348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).