2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H9BrClNO3 — CID 107618657

IUPAC2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H9BrClNO3/c12-8-2-1-5(3-9(8)13)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)
InChIKeyZKCOUEIFIFOIIN-UHFFFAOYSA-N
MW318.55 g/mol
LogP2.76
Rot. Bonds3

About 2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 107618657) has the molecular formula C11H9BrClNO3 and a molecular weight of 318.55 g/mol. Its IUPAC name is 2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID107618657
Molecular FormulaC11H9BrClNO3
Molecular Weight318.55 g/mol
Exact Mass316.95
IUPAC Name2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H9BrClNO3/c12-8-2-1-5(3-9(8)13)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)
InChIKeyZKCOUEIFIFOIIN-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
cis-(1S,2R)-2-[(4-bromo-3-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320575
5-[[(1R,2S)-2-carboxycyclopropanecarbonyl]amino]-2-chlorobenzoic acid
CID 93366698
(1S,2R,3R,4R)-3-[(4-bromo-3-chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6554177
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119180306
N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107620593
7-[(4-bromo-3-chlorophenyl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 107614612
2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974356
2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511906
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 107571616

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 107618657) is 2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZKCOUEIFIFOIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO3/c12-8-2-1-5(3-9(8)13)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 318.55 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 107618657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).