2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

C15H18BrNO3 — CID 103977968

IUPAC2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)C1CCCC1C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO3/c1-9(10-5-7-11(16)8-6-10)17-14(18)12-3-2-4-13(12)15(19)20/h5-9,12-13H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyFEDHIXAMQVMZBN-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.13
Rot. Bonds4

About 2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103977968) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103977968
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)C1CCCC1C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO3/c1-9(10-5-7-11(16)8-6-10)17-14(18)12-3-2-4-13(12)15(19)20/h5-9,12-13H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyFEDHIXAMQVMZBN-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010
cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092665
(1S,6S)-6-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93035492
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
2-[1-(3-bromophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60941223
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
2-[1-(3,4-dichlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978108
N-[1-(4-bromophenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79673733
2-[1-(3,4-difluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 126786554
methyl N-[[(1R,2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]cyclohexanecarbonyl]-propan-2-ylamino]carbamate
CID 130401995
N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81359990
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103977968) is 2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is CC(NC(=O)C1CCCC1C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FEDHIXAMQVMZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-9(10-5-7-11(16)8-6-10)17-14(18)12-3-2-4-13(12)15(19)20/h5-9,12-13H,2-4H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 340.22 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103977968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).