2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H14BrClN2O3 — CID 81279700

IUPAC2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1Br)NC1CCCC1C(=O)O
InChIInChI=1S/C13H14BrClN2O3/c14-9-5-4-7(15)6-11(9)17-13(20)16-10-3-1-2-8(10)12(18)19/h4-6,8,10H,1-3H2,(H,18,19)(H2,16,17,20)
InChIKeyFZARBGKQERHVKS-UHFFFAOYSA-N
MW361.62 g/mol
LogP3.48
Rot. Bonds3

About 2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid

2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 81279700) has the molecular formula C13H14BrClN2O3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID81279700
Molecular FormulaC13H14BrClN2O3
Molecular Weight361.62 g/mol
Exact Mass359.99
IUPAC Name2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(Cl)ccc1Br)NC1CCCC1C(=O)O
InChIInChI=1S/C13H14BrClN2O3/c14-9-5-4-7(15)6-11(9)17-13(20)16-10-3-1-2-8(10)12(18)19/h4-6,8,10H,1-3H2,(H,18,19)(H2,16,17,20)
InChIKeyFZARBGKQERHVKS-UHFFFAOYSA-N
XLogP3.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82766632
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854411
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64818045
2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816884
2-[(2-bromo-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64815711
2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
N-(2-bromo-5-chlorophenyl)cyclobutanecarboxamide
CID 81272636
4-bromo-3-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 107814156
(1S,6R)-6-[(2-bromo-5-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 103775279
2-[(4-bromo-3-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82860446
N-(2-bromo-5-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 81271769

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 81279700) is 2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1cc(Cl)ccc1Br)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FZARBGKQERHVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O3/c14-9-5-4-7(15)6-11(9)17-13(20)16-10-3-1-2-8(10)12(18)19/h4-6,8,10H,1-3H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 361.62 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81279700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).