N-[cyano(phenyl)methyl]cycloheptanecarboxamide

C16H20N2O — CID 62586494

IUPACN-[cyano(phenyl)methyl]cycloheptanecarboxamide
SMILESN#CC(NC(=O)C1CCCCCC1)c1ccccc1
InChIInChI=1S/C16H20N2O/c17-12-15(13-8-6-3-7-9-13)18-16(19)14-10-4-1-2-5-11-14/h3,6-9,14-15H,1-2,4-5,10-11H2,(H,18,19)
InChIKeyJPNFYPSQRXWLHG-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.34
Rot. Bonds3

About N-[cyano(phenyl)methyl]cycloheptanecarboxamide

N-[cyano(phenyl)methyl]cycloheptanecarboxamide (PubChem CID 62586494) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]cycloheptanecarboxamide
PubChem CID62586494
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-[cyano(phenyl)methyl]cycloheptanecarboxamide
SMILESN#CC(NC(=O)C1CCCCCC1)c1ccccc1
InChIInChI=1S/C16H20N2O/c17-12-15(13-8-6-3-7-9-13)18-16(19)14-10-4-1-2-5-11-14/h3,6-9,14-15H,1-2,4-5,10-11H2,(H,18,19)
InChIKeyJPNFYPSQRXWLHG-UHFFFAOYSA-N
XLogP3.34
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005788
N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide
CID 124606737
1-[cyano(phenyl)methyl]-3-cyclohexylurea
CID 54904474
N-[cyano(phenyl)methyl]oxane-2-carboxamide
CID 62214242
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
3-cyclohexyl-3-oxo-2-phenylpropanenitrile
CID 43156648
N-(1-bromo-3-phenylpropan-2-yl)cycloheptanecarboxamide
CID 114311229
N-[cyano(phenyl)methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993515
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]cycloheptanecarboxamide?
The IUPAC name of N-[cyano(phenyl)methyl]cycloheptanecarboxamide (CID 62586494) is N-[cyano(phenyl)methyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]cycloheptanecarboxamide?
The canonical SMILES for N-[cyano(phenyl)methyl]cycloheptanecarboxamide is N#CC(NC(=O)C1CCCCCC1)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]cycloheptanecarboxamide?
The InChIKey is JPNFYPSQRXWLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-12-15(13-8-6-3-7-9-13)18-16(19)14-10-4-1-2-5-11-14/h3,6-9,14-15H,1-2,4-5,10-11H2,(H,18,19).
What are the key properties of N-[cyano(phenyl)methyl]cycloheptanecarboxamide?
N-[cyano(phenyl)methyl]cycloheptanecarboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]cycloheptanecarboxamide is sourced from PubChem (CID 62586494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).