2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H15BrFNO3 — CID 65436092

IUPAC2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C14H15BrFNO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)
InChIKeyZNTRJDQDDLSBMQ-UHFFFAOYSA-N
MW344.18 g/mol
LogP3.42
Rot. Bonds3

About 2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 65436092) has the molecular formula C14H15BrFNO3 and a molecular weight of 344.18 g/mol. Its IUPAC name is 2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID65436092
Molecular FormulaC14H15BrFNO3
Molecular Weight344.18 g/mol
Exact Mass343.02
IUPAC Name2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C14H15BrFNO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20)
InChIKeyZNTRJDQDDLSBMQ-UHFFFAOYSA-N
XLogP3.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 53.42
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
2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
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-[(5-bromo-2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102852552
trans-(1R,2R)-2-[(3,4-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 763889
N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide
CID 65430122
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
cis-(1S,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7312287
trans-(1S,2S)-2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 792081
2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856466

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 65436092) is 2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of 2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZNTRJDQDDLSBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7,9-10H,1-4H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 344.18 g/mol, XLogP of 3.42, 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-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65436092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).