2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide

C16H13Cl2N3O — CID 56825636

IUPAC2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESN#CCCN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3O/c17-12-5-6-14(15(18)10-12)16(22)21(9-3-7-19)11-13-4-1-2-8-20-13/h1-2,4-6,8,10H,3,9,11H2
InChIKeyLWEXVCMKNDUYIN-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.94
Rot. Bonds5

About 2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide

2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 56825636) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID56825636
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESN#CCCN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3O/c17-12-5-6-14(15(18)10-12)16(22)21(9-3-7-19)11-13-4-1-2-8-20-13/h1-2,4-6,8,10H,3,9,11H2
InChIKeyLWEXVCMKNDUYIN-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

N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
CID 43911621
2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802
N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 56825635
2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520270
(5S)-N-(2-cyanoethyl)-5-phenyl-N-(pyridin-2-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95293003
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171
2-chloro-N-(2-cyanoethyl)-4-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 134013347
2-amino-5-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 61114600
2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 11443975
2-chloro-N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084705
5-bromo-2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 60528009
5-chloro-N-methyl-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167870

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide (CID 56825636) is 2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide is N#CCCN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is LWEXVCMKNDUYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c17-12-5-6-14(15(18)10-12)16(22)21(9-3-7-19)11-13-4-1-2-8-20-13/h1-2,4-6,8,10H,3,9,11H2.
What are the key properties of 2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide?
2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-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 2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 56825636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).