N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide

C17H15BrClNO — CID 112790088

IUPACN-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H15BrClNO/c1-11-10-13(18)4-7-15(11)20-16(21)17(8-9-17)12-2-5-14(19)6-3-12/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyMFTGZPIKQCFWFV-UHFFFAOYSA-N
MW364.67 g/mol
LogP5.08
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide

N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 112790088) has the molecular formula C17H15BrClNO and a molecular weight of 364.67 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID112790088
Molecular FormulaC17H15BrClNO
Molecular Weight364.67 g/mol
Exact Mass363.00
IUPAC NameN-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H15BrClNO/c1-11-10-13(18)4-7-15(11)20-16(21)17(8-9-17)12-2-5-14(19)6-3-12/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyMFTGZPIKQCFWFV-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.67
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
1-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913411
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112761225
1-amino-N-(4-bromo-2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119682529
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 26357521
N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 86857924
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
N-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 134002638
1-(4-aminophenyl)-N-(2-bromo-5-chlorophenyl)cyclopropane-1-carboxamide
CID 115913859
1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
CID 52555511
N-(4-bromo-2-methylphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028102

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide (CID 112790088) is N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide is Cc1cc(Br)ccc1NC(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is MFTGZPIKQCFWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO/c1-11-10-13(18)4-7-15(11)20-16(21)17(8-9-17)12-2-5-14(19)6-3-12/h2-7,10H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 364.67 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 112790088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).