2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide

C18H17ClN2O — CID 54790334

IUPAC2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
SMILESN#CCCN(CCc1ccccc1)C(=O)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O/c19-17-10-5-4-9-16(17)18(22)21(13-6-12-20)14-11-15-7-2-1-3-8-15/h1-5,7-10H,6,11,13-14H2
InChIKeySPWXMZPWOUILJP-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.94
Rot. Bonds6

About 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide

2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide (PubChem CID 54790334) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
PubChem CID54790334
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
SMILESN#CCCN(CCc1ccccc1)C(=O)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O/c19-17-10-5-4-9-16(17)18(22)21(13-6-12-20)14-11-15-7-2-1-3-8-15/h1-5,7-10H,6,11,13-14H2
InChIKeySPWXMZPWOUILJP-UHFFFAOYSA-N
XLogP3.94
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802
N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
CID 43911621
N-(2-cyanoethyl)-N-(2-phenylethyl)-2-phenylmethoxybenzamide
CID 54790711
N-(2-cyanoethyl)-2-nitro-N-(2-phenylethyl)benzamide
CID 54790308
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)propanamide
CID 82102572
2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
CID 52573948
3-bromo-2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 113362626
N-(2-cyanoethyl)-N-(2-phenylethyl)-4-propan-2-yloxybenzamide
CID 54790398
2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 134013348
N,N-bis(2-cyanoethyl)-2-ethoxybenzamide
CID 2207652
2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide
CID 2807201
1-(2-cyanoethyl)-1-ethyl-3-(2-phenylethyl)urea
CID 47075715

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide (CID 54790334) is 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide is N#CCCN(CCc1ccccc1)C(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide?
The InChIKey is SPWXMZPWOUILJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-17-10-5-4-9-16(17)18(22)21(13-6-12-20)14-11-15-7-2-1-3-8-15/h1-5,7-10H,6,11,13-14H2.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide?
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide has a molecular weight of 312.80 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 54790334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).