4-[(1-cyanocyclohexanecarbonyl)amino]benzamide

C15H17N3O2 — CID 60581823

IUPAC4-[(1-cyanocyclohexanecarbonyl)amino]benzamide
SMILESN#CC1(C(=O)Nc2ccc(C(N)=O)cc2)CCCCC1
InChIInChI=1S/C15H17N3O2/c16-10-15(8-2-1-3-9-15)14(20)18-12-6-4-11(5-7-12)13(17)19/h4-7H,1-3,8-9H2,(H2,17,19)(H,18,20)
InChIKeySBPVKFADIIFHPW-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.20
Rot. Bonds3

About 4-[(1-cyanocyclohexanecarbonyl)amino]benzamide

4-[(1-cyanocyclohexanecarbonyl)amino]benzamide (PubChem CID 60581823) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[(1-cyanocyclohexanecarbonyl)amino]benzamide.

Molecular Properties

Compound Name4-[(1-cyanocyclohexanecarbonyl)amino]benzamide
PubChem CID60581823
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[(1-cyanocyclohexanecarbonyl)amino]benzamide
SMILESN#CC1(C(=O)Nc2ccc(C(N)=O)cc2)CCCCC1
InChIInChI=1S/C15H17N3O2/c16-10-15(8-2-1-3-9-15)14(20)18-12-6-4-11(5-7-12)13(17)19/h4-7H,1-3,8-9H2,(H2,17,19)(H,18,20)
InChIKeySBPVKFADIIFHPW-UHFFFAOYSA-N
XLogP2.20
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(carbamoylamino)phenyl]-1-cyanocyclopentane-1-carboxamide
CID 31812989
3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
CID 51246637
1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 31816749
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide
CID 60584279
1-cyano-N-(4-iodophenyl)cyclobutane-1-carboxamide
CID 78995000
4-[(1-cyanocyclopentanecarbonyl)amino]-N-cyclohexyl-N-methylbenzamide
CID 60549246
1-cyano-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 61459503
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
N-(3-bromo-4-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 104778651
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
N-(1,3-benzodioxol-5-yl)-1-cyanocyclohexane-1-carboxamide
CID 61459502
1-cyano-N-[4-(propan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 51246758

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyanocyclohexanecarbonyl)amino]benzamide?
The IUPAC name of 4-[(1-cyanocyclohexanecarbonyl)amino]benzamide (CID 60581823) is 4-[(1-cyanocyclohexanecarbonyl)amino]benzamide.
What is the SMILES notation for 4-[(1-cyanocyclohexanecarbonyl)amino]benzamide?
The canonical SMILES for 4-[(1-cyanocyclohexanecarbonyl)amino]benzamide is N#CC1(C(=O)Nc2ccc(C(N)=O)cc2)CCCCC1.
What is the InChIKey of 4-[(1-cyanocyclohexanecarbonyl)amino]benzamide?
The InChIKey is SBPVKFADIIFHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-10-15(8-2-1-3-9-15)14(20)18-12-6-4-11(5-7-12)13(17)19/h4-7H,1-3,8-9H2,(H2,17,19)(H,18,20).
What are the key properties of 4-[(1-cyanocyclohexanecarbonyl)amino]benzamide?
4-[(1-cyanocyclohexanecarbonyl)amino]benzamide has a molecular weight of 271.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyanocyclohexanecarbonyl)amino]benzamide is sourced from PubChem (CID 60581823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).