3-cyano-N-(2-oxoazepan-4-yl)benzamide

C14H15N3O2 — CID 19090425

IUPAC3-cyano-N-(2-oxoazepan-4-yl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CCCNC(=O)C2)c1
InChIInChI=1S/C14H15N3O2/c15-9-10-3-1-4-11(7-10)14(19)17-12-5-2-6-16-13(18)8-12/h1,3-4,7,12H,2,5-6,8H2,(H,16,18)(H,17,19)
InChIKeyWMKQJXZPDFWPRL-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.96
Rot. Bonds2

About 3-cyano-N-(2-oxoazepan-4-yl)benzamide

3-cyano-N-(2-oxoazepan-4-yl)benzamide (PubChem CID 19090425) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-cyano-N-(2-oxoazepan-4-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-oxoazepan-4-yl)benzamide
PubChem CID19090425
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-cyano-N-(2-oxoazepan-4-yl)benzamide
SMILESN#Cc1cccc(C(=O)NC2CCCNC(=O)C2)c1
InChIInChI=1S/C14H15N3O2/c15-9-10-3-1-4-11(7-10)14(19)17-12-5-2-6-16-13(18)8-12/h1,3-4,7,12H,2,5-6,8H2,(H,16,18)(H,17,19)
InChIKeyWMKQJXZPDFWPRL-UHFFFAOYSA-N
XLogP0.96
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(5-oxopyrrolidin-3-yl)benzamide
CID 71789109
3-cyano-N-[(3R)-5-oxopyrrolidin-3-yl]benzamide
CID 95985010
3-cyano-N-(6-oxopiperidin-3-yl)benzamide
CID 62491080
N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
CID 18648125
N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide
CID 18648131
3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
CID 112534527
3-methyl-N-(2-oxopiperidin-4-yl)benzamide
CID 112534523
3-cyano-N-(1,1-dioxothian-3-yl)benzamide
CID 63922155
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
N-(1-acetylpiperidin-4-yl)-3-cyanobenzamide
CID 46612755
4-methoxy-N-(2-oxoazepan-4-yl)benzamide
CID 19090438
3-cyano-N-(3,3-dimethylcyclopentyl)benzamide
CID 115880768

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-oxoazepan-4-yl)benzamide?
The IUPAC name of 3-cyano-N-(2-oxoazepan-4-yl)benzamide (CID 19090425) is 3-cyano-N-(2-oxoazepan-4-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-oxoazepan-4-yl)benzamide?
The canonical SMILES for 3-cyano-N-(2-oxoazepan-4-yl)benzamide is N#Cc1cccc(C(=O)NC2CCCNC(=O)C2)c1.
What is the InChIKey of 3-cyano-N-(2-oxoazepan-4-yl)benzamide?
The InChIKey is WMKQJXZPDFWPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-9-10-3-1-4-11(7-10)14(19)17-12-5-2-6-16-13(18)8-12/h1,3-4,7,12H,2,5-6,8H2,(H,16,18)(H,17,19).
What are the key properties of 3-cyano-N-(2-oxoazepan-4-yl)benzamide?
3-cyano-N-(2-oxoazepan-4-yl)benzamide has a molecular weight of 257.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-oxoazepan-4-yl)benzamide is sourced from PubChem (CID 19090425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).