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

C17H15ClN2O — CID 43911621

IUPACN-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
SMILESN#CCCN(Cc1ccccc1)C(=O)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O/c18-16-10-5-4-9-15(16)17(21)20(12-6-11-19)13-14-7-2-1-3-8-14/h1-5,7-10H,6,12-13H2
InChIKeyMPFKAXKBEJBPPW-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.90
Rot. Bonds5

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

N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide (PubChem CID 43911621) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
PubChem CID43911621
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
SMILESN#CCCN(Cc1ccccc1)C(=O)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O/c18-16-10-5-4-9-15(16)17(21)20(12-6-11-19)13-14-7-2-1-3-8-14/h1-5,7-10H,6,12-13H2
InChIKeyMPFKAXKBEJBPPW-UHFFFAOYSA-N
XLogP3.90
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802
2-chloro-N-(2-cyanoethyl)-N-(2-phenylethyl)benzamide
CID 54790334
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 134013348
N-benzyl-N-(2-cyanoethyl)-2-(3-methylbutoxy)benzamide
CID 43911713
N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide
CID 43911774
2-chloro-N-(2-cyanoethyl)-4-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 134013347
N-benzyl-N-(2-cyanoethyl)-4-phenylmethoxybenzamide
CID 43911737
2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 56825636
N-benzyl-N-(2-cyanoethyl)butanamide
CID 43911640
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide
CID 74906276

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide?
The IUPAC name of N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide (CID 43911621) is N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide?
The canonical SMILES for N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide is N#CCCN(Cc1ccccc1)C(=O)c1ccccc1Cl.
What is the InChIKey of N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide?
The InChIKey is MPFKAXKBEJBPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-16-10-5-4-9-15(16)17(21)20(12-6-11-19)13-14-7-2-1-3-8-14/h1-5,7-10H,6,12-13H2.
What are the key properties of N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide?
N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide has a molecular weight of 298.77 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide is sourced from PubChem (CID 43911621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).