3-[(1-cyanocyclopentanecarbonyl)amino]benzamide

C14H15N3O2 — CID 51246637

IUPAC3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
SMILESN#CC1(C(=O)Nc2cccc(C(N)=O)c2)CCCC1
InChIInChI=1S/C14H15N3O2/c15-9-14(6-1-2-7-14)13(19)17-11-5-3-4-10(8-11)12(16)18/h3-5,8H,1-2,6-7H2,(H2,16,18)(H,17,19)
InChIKeyVYALBILBFRGJIN-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.81
Rot. Bonds3

About 3-[(1-cyanocyclopentanecarbonyl)amino]benzamide

3-[(1-cyanocyclopentanecarbonyl)amino]benzamide (PubChem CID 51246637) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[(1-cyanocyclopentanecarbonyl)amino]benzamide.

Molecular Properties

Compound Name3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
PubChem CID51246637
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
SMILESN#CC1(C(=O)Nc2cccc(C(N)=O)c2)CCCC1
InChIInChI=1S/C14H15N3O2/c15-9-14(6-1-2-7-14)13(19)17-11-5-3-4-10(8-11)12(16)18/h3-5,8H,1-2,6-7H2,(H2,16,18)(H,17,19)
InChIKeyVYALBILBFRGJIN-UHFFFAOYSA-N
XLogP1.81
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-cyanocyclohexanecarbonyl)amino]benzamide
CID 60581823
ethyl 3-[(1-cyanocyclohexanecarbonyl)amino]benzoate
CID 60584377
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide
CID 61458989
N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide
CID 31812989
methyl 3-[2-[3-[(1-cyanocyclopentanecarbonyl)amino]phenyl]ethynyl]benzoate
CID 38162313
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 31841999
1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 122134935
1-cyano-N-[3-(1,3-dithian-2-yl)phenyl]cyclopentane-1-carboxamide
CID 39629590
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107809508

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyanocyclopentanecarbonyl)amino]benzamide?
The IUPAC name of 3-[(1-cyanocyclopentanecarbonyl)amino]benzamide (CID 51246637) is 3-[(1-cyanocyclopentanecarbonyl)amino]benzamide.
What is the SMILES notation for 3-[(1-cyanocyclopentanecarbonyl)amino]benzamide?
The canonical SMILES for 3-[(1-cyanocyclopentanecarbonyl)amino]benzamide is N#CC1(C(=O)Nc2cccc(C(N)=O)c2)CCCC1.
What is the InChIKey of 3-[(1-cyanocyclopentanecarbonyl)amino]benzamide?
The InChIKey is VYALBILBFRGJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-9-14(6-1-2-7-14)13(19)17-11-5-3-4-10(8-11)12(16)18/h3-5,8H,1-2,6-7H2,(H2,16,18)(H,17,19).
What are the key properties of 3-[(1-cyanocyclopentanecarbonyl)amino]benzamide?
3-[(1-cyanocyclopentanecarbonyl)amino]benzamide has a molecular weight of 257.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyanocyclopentanecarbonyl)amino]benzamide is sourced from PubChem (CID 51246637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).