1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide

C16H12BrCl2NO — CID 52555511

IUPAC1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H12BrCl2NO/c17-11-6-4-10(5-7-11)16(8-9-16)15(21)20-13-3-1-2-12(18)14(13)19/h1-7H,8-9H2,(H,20,21)
InChIKeyRJJAMTGLSOEMNU-UHFFFAOYSA-N
MW385.09 g/mol
LogP5.43
Rot. Bonds3

About 1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide (PubChem CID 52555511) has the molecular formula C16H12BrCl2NO and a molecular weight of 385.09 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
PubChem CID52555511
Molecular FormulaC16H12BrCl2NO
Molecular Weight385.09 g/mol
Exact Mass382.95
IUPAC Name1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H12BrCl2NO/c17-11-6-4-10(5-7-11)16(8-9-16)15(21)20-13-3-1-2-12(18)14(13)19/h1-7H,8-9H2,(H,20,21)
InChIKeyRJJAMTGLSOEMNU-UHFFFAOYSA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.09
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 1346170
1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913116
N'-[1-(4-bromophenyl)cyclopropanecarbonyl]-2-chlorobenzohydrazide
CID 134023828
methyl 3-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]-4-chlorobenzoate
CID 52555670
N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 112790088
N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789060
N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204
1-[2-(4-bromophenyl)ethyl]-3-(2,3-dichlorophenyl)urea
CID 108902238
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide (CID 52555511) is 1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide is O=C(Nc1cccc(Cl)c1Cl)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is RJJAMTGLSOEMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrCl2NO/c17-11-6-4-10(5-7-11)16(8-9-16)15(21)20-13-3-1-2-12(18)14(13)19/h1-7H,8-9H2,(H,20,21).
What are the key properties of 1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 385.09 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 52555511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).