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

C15H17BrFNO3 — CID 114511906

IUPAC2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)Nc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C15H17BrFNO3/c1-2-8-5-10(11(6-8)15(20)21)14(19)18-9-3-4-12(16)13(17)7-9/h3-4,7-8,10-11H,2,5-6H2,1H3,(H,18,19)(H,20,21)
InChIKeyPQJHCFKCYZXAPG-UHFFFAOYSA-N
MW358.21 g/mol
LogP3.66
Rot. Bonds4

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

2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114511906) has the molecular formula C15H17BrFNO3 and a molecular weight of 358.21 g/mol. Its IUPAC name is 2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114511906
Molecular FormulaC15H17BrFNO3
Molecular Weight358.21 g/mol
Exact Mass357.04
IUPAC Name2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)Nc2ccc(Br)c(F)c2)C1
InChIInChI=1S/C15H17BrFNO3/c1-2-8-5-10(11(6-8)15(20)21)14(19)18-9-3-4-12(16)13(17)7-9/h3-4,7-8,10-11H,2,5-6H2,1H3,(H,18,19)(H,20,21)
InChIKeyPQJHCFKCYZXAPG-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511373
2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 65436092
cis-(1S,2R)-2-[(4-bromo-3-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320575
2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107618657
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
cis-(1R,3S)-3-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319809
2-[(4-fluoro-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114837407
2-[(4-bromo-3-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185191
2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511914
N-(4-bromo-3-fluorophenyl)adamantane-2-carboxamide
CID 81098384
2-(2,5-dibromobenzoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512487
2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974356

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (CID 114511906) is 2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)Nc2ccc(Br)c(F)c2)C1.
What is the InChIKey of 2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is PQJHCFKCYZXAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO3/c1-2-8-5-10(11(6-8)15(20)21)14(19)18-9-3-4-12(16)13(17)7-9/h3-4,7-8,10-11H,2,5-6H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
2-[(4-bromo-3-fluorophenyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 358.21 g/mol, XLogP of 3.66, 4 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]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).