N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide

C21H21FN2O — CID 56516675

IUPACN-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide
SMILESN#CC(NC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1F
InChIInChI=1S/C21H21FN2O/c22-19-9-5-4-8-18(19)20(14-23)24-21(25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15,20H,1-3,6-7H2,(H,24,25)
InChIKeyCEEZYCPJWQHQAL-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.87
Rot. Bonds4

About N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide

N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide (PubChem CID 56516675) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide
PubChem CID56516675
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide
SMILESN#CC(NC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1F
InChIInChI=1S/C21H21FN2O/c22-19-9-5-4-8-18(19)20(14-23)24-21(25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15,20H,1-3,6-7H2,(H,24,25)
InChIKeyCEEZYCPJWQHQAL-UHFFFAOYSA-N
XLogP4.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 56572373
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 56516682
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
N-[(S)-cyano-(2-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide
CID 97051265
2-bromo-N-[(S)-cyano-(2-fluorophenyl)methyl]benzamide
CID 96533894
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
CID 82123285
N-[cyano-(2,4-difluorophenyl)methyl]-4-phenylbenzamide
CID 56536876
N-[cyano-(2-fluorophenyl)methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 56515138
N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 56515140
2-[(4-cyclohexylbenzoyl)amino]propanoic acid
CID 110466195
4-cyclobutyl-N-propan-2-ylbenzamide
CID 174282086

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide (CID 56516675) is N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide is N#CC(NC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1F.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide?
The InChIKey is CEEZYCPJWQHQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-19-9-5-4-8-18(19)20(14-23)24-21(25)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h4-5,8-13,15,20H,1-3,6-7H2,(H,24,25).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide?
N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide has a molecular weight of 336.41 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-4-cyclohexylbenzamide is sourced from PubChem (CID 56516675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).