N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide

C17H16BrNO — CID 3346016

IUPACN-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2c2ccccc2)c(Br)c1
InChIInChI=1S/C17H16BrNO/c1-11-7-8-16(15(18)9-11)19-17(20)14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3,(H,19,20)
InChIKeyBLPLELQJAAEKGK-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.50
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide

N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 3346016) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID3346016
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC NameN-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2c2ccccc2)c(Br)c1
InChIInChI=1S/C17H16BrNO/c1-11-7-8-16(15(18)9-11)19-17(20)14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3,(H,19,20)
InChIKeyBLPLELQJAAEKGK-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 78971301
N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 115912203
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 104756910
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737103
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 157443710
1-N-(2-bromo-4-methylphenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132143
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 97258874

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide (CID 3346016) is N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2CC2c2ccccc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is BLPLELQJAAEKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-11-7-8-16(15(18)9-11)19-17(20)14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3,(H,19,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3346016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).