2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide

C22H23N3O2 — CID 71896096

IUPAC2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C22H23N3O2/c23-16-17-8-3-4-9-18(17)19-10-5-6-11-20(19)22(27)24-13-15-25-14-7-1-2-12-21(25)26/h3-6,8-11H,1-2,7,12-15H2,(H,24,27)
InChIKeyFISRSGMSUIFILI-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.36
Rot. Bonds5

About 2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide

2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide (PubChem CID 71896096) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
PubChem CID71896096
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCCN1CCCCCC1=O
InChIInChI=1S/C22H23N3O2/c23-16-17-8-3-4-9-18(17)19-10-5-6-11-20(19)22(27)24-13-15-25-14-7-1-2-12-21(25)26/h3-6,8-11H,1-2,7,12-15H2,(H,24,27)
InChIKeyFISRSGMSUIFILI-UHFFFAOYSA-N
XLogP3.36
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide
CID 86944965
2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26953457
4-cyano-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 39959545
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
2-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 135530494
2-(4-bromophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 39515430
(3R)-1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide
CID 39514039
1-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]-3,4-dihydroisochromene-3-carboxamide
CID 51079964
4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid
CID 134109822
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39513518

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide (CID 71896096) is 2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide is N#Cc1ccccc1-c1ccccc1C(=O)NCCN1CCCCCC1=O.
What is the InChIKey of 2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide?
The InChIKey is FISRSGMSUIFILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-16-17-8-3-4-9-18(17)19-10-5-6-11-20(19)22(27)24-13-15-25-14-7-1-2-12-21(25)26/h3-6,8-11H,1-2,7,12-15H2,(H,24,27).
What are the key properties of 2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide?
2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide has a molecular weight of 361.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide is sourced from PubChem (CID 71896096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).