N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide

C25H22N2O — CID 2832320

IUPACN-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2(c3ccc(C)cc3)CC2C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H22N2O/c1-17-3-9-20(10-4-17)25(21-11-5-18(2)6-12-21)15-23(25)24(28)27-22-13-7-19(16-26)8-14-22/h3-14,23H,15H2,1-2H3,(H,27,28)
InChIKeyGYYJPQIQHRRVSK-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.12
Rot. Bonds4

About N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide

N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 2832320) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID2832320
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC NameN-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2(c3ccc(C)cc3)CC2C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H22N2O/c1-17-3-9-20(10-4-17)25(21-11-5-18(2)6-12-21)15-23(25)24(28)27-22-13-7-19(16-26)8-14-22/h3-14,23H,15H2,1-2H3,(H,27,28)
InChIKeyGYYJPQIQHRRVSK-UHFFFAOYSA-N
XLogP5.12
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 3777057
(1S)-N-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2260163
N-(4-cyanophenyl)spiro[2.5]octane-2-carboxamide
CID 155221361
N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen
CID 142563467
(1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 1249311
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
(1S)-N-(2-fluorophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 1238496
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432802
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-methylphenyl)prop-2-enamide
CID 7265065
(1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 1040817

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide (CID 2832320) is N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(C2(c3ccc(C)cc3)CC2C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is GYYJPQIQHRRVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-17-3-9-20(10-4-17)25(21-11-5-18(2)6-12-21)15-23(25)24(28)27-22-13-7-19(16-26)8-14-22/h3-14,23H,15H2,1-2H3,(H,27,28).
What are the key properties of N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide?
N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 2832320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).