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

C24H22BrNO — CID 3777057

IUPACN-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2(c3ccc(C)cc3)CC2C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C24H22BrNO/c1-16-3-7-18(8-4-16)24(19-9-5-17(2)6-10-19)15-22(24)23(27)26-21-13-11-20(25)12-14-21/h3-14,22H,15H2,1-2H3,(H,26,27)
InChIKeyOHIWXCSDEIJWMU-UHFFFAOYSA-N
MW420.35 g/mol
LogP6.01
Rot. Bonds4

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

N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 3777057) has the molecular formula C24H22BrNO and a molecular weight of 420.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID3777057
Molecular FormulaC24H22BrNO
Molecular Weight420.35 g/mol
Exact Mass419.09
IUPAC NameN-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2(c3ccc(C)cc3)CC2C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C24H22BrNO/c1-16-3-7-18(8-4-16)24(19-9-5-17(2)6-10-19)15-22(24)23(27)26-21-13-11-20(25)12-14-21/h3-14,22H,15H2,1-2H3,(H,26,27)
InChIKeyOHIWXCSDEIJWMU-UHFFFAOYSA-N
XLogP6.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2260163
N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2832320
(1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 1249311
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
1-(4-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215296
(1S)-N-(2-fluorophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 1238496
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432802
1-(4-bromophenyl)-3-[[1-(4-methylphenyl)cyclopropyl]methyl]urea
CID 113214075
2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 6611307
N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 2844054

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide (CID 3777057) is N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(C2(c3ccc(C)cc3)CC2C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is OHIWXCSDEIJWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrNO/c1-16-3-7-18(8-4-16)24(19-9-5-17(2)6-10-19)15-22(24)23(27)26-21-13-11-20(25)12-14-21/h3-14,22H,15H2,1-2H3,(H,26,27).
What are the key properties of N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide?
N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 420.35 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 3777057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).