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

C12H12BrNO3 — CID 103925937

IUPAC2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1c(Br)cccc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C12H12BrNO3/c1-6-9(13)3-2-4-10(6)14-11(15)7-5-8(7)12(16)17/h2-4,7-8H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeySHLLAZPMRDMXMP-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.42
Rot. Bonds3

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

2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 103925937) has the molecular formula C12H12BrNO3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID103925937
Molecular FormulaC12H12BrNO3
Molecular Weight298.14 g/mol
Exact Mass297.00
IUPAC Name2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1c(Br)cccc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C12H12BrNO3/c1-6-9(13)3-2-4-10(6)14-11(15)7-5-8(7)12(16)17/h2-4,7-8H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeySHLLAZPMRDMXMP-UHFFFAOYSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-bromo-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103953226
5-[(3-bromo-2-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102732434
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
CID 103639120
1-N-(2,3-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140804
2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868200
N-(3-bromo-2-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625139
cis-(1S,2R)-2-[(4-bromo-3-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320575
2-N-(2-bromophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141632
N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide
CID 103808589
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791578

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 103925937) is 2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is Cc1c(Br)cccc1NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is SHLLAZPMRDMXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3/c1-6-9(13)3-2-4-10(6)14-11(15)7-5-8(7)12(16)17/h2-4,7-8H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 298.14 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103925937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).