N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide

C17H14N2O — CID 3093789

IUPACN-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C17H14N2O/c18-11-13-8-4-5-9-16(13)19-17(20)15-10-14(15)12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,19,20)
InChIKeyCLQZXISHQQFAHW-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.30
Rot. Bonds3

About N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide

N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 3093789) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID3093789
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC NameN-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C17H14N2O/c18-11-13-8-4-5-9-16(13)19-17(20)15-10-14(15)12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,19,20)
InChIKeyCLQZXISHQQFAHW-UHFFFAOYSA-N
XLogP3.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-(2-cyanophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 124588385
1-N-(2-cyanophenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109131004
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163
2-N-(4-bromophenyl)-1-N-(2-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143302
2-N-(2-cyanophenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141896
N-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 110606701
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
(1R,2R,3S,4R)-3-[(2-cyanophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124681397
cis-(1S,2R)-N-[1-(2-cyanophenyl)piperidin-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 95774790
1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134958

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide (CID 3093789) is N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide is N#Cc1ccccc1NC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is CLQZXISHQQFAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c18-11-13-8-4-5-9-16(13)19-17(20)15-10-14(15)12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,19,20).
What are the key properties of N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide?
N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3093789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).