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

C12H11BrClNO3 — CID 167961705

IUPAC3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(C(=O)Nc2cccc(Br)c2Cl)C1
InChIInChI=1S/C12H11BrClNO3/c13-8-2-1-3-9(10(8)14)15-11(16)6-4-7(5-6)12(17)18/h1-3,6-7H,4-5H2,(H,15,16)(H,17,18)
InChIKeyQZHYEAQGZXWZEN-UHFFFAOYSA-N
MW332.58 g/mol
LogP3.15
Rot. Bonds3

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

3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 167961705) has the molecular formula C12H11BrClNO3 and a molecular weight of 332.58 g/mol. Its IUPAC name is 3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID167961705
Molecular FormulaC12H11BrClNO3
Molecular Weight332.58 g/mol
Exact Mass330.96
IUPAC Name3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(C(=O)Nc2cccc(Br)c2Cl)C1
InChIInChI=1S/C12H11BrClNO3/c13-8-2-1-3-9(10(8)14)15-11(16)6-4-7(5-6)12(17)18/h1-3,6-7H,4-5H2,(H,15,16)(H,17,18)
InChIKeyQZHYEAQGZXWZEN-UHFFFAOYSA-N
XLogP3.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122093009
3-[(3-bromo-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103953226
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide
CID 151325268
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
cis-(1S,3R)-3-[(3-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676317
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 103925937
2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977750
3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550238
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 167961705) is 3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CC(C(=O)Nc2cccc(Br)c2Cl)C1.
What is the InChIKey of 3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is QZHYEAQGZXWZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO3/c13-8-2-1-3-9(10(8)14)15-11(16)6-4-7(5-6)12(17)18/h1-3,6-7H,4-5H2,(H,15,16)(H,17,18).
What are the key properties of 3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid?
3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 332.58 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 167961705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).