2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid

C14H17BrN2O3 — CID 115296693

IUPAC2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
SMILESCN(C(=O)Nc1ccc(Br)c(C(=O)O)c1)C1CCCC1
InChIInChI=1S/C14H17BrN2O3/c1-17(10-4-2-3-5-10)14(20)16-9-6-7-12(15)11(8-9)13(18)19/h6-8,10H,2-5H2,1H3,(H,16,20)(H,18,19)
InChIKeyQCNPXMNSDLWTOL-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.55
Rot. Bonds3

About 2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid

2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid (PubChem CID 115296693) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
PubChem CID115296693
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
SMILESCN(C(=O)Nc1ccc(Br)c(C(=O)O)c1)C1CCCC1
InChIInChI=1S/C14H17BrN2O3/c1-17(10-4-2-3-5-10)14(20)16-9-6-7-12(15)11(8-9)13(18)19/h6-8,10H,2-5H2,1H3,(H,16,20)(H,18,19)
InChIKeyQCNPXMNSDLWTOL-UHFFFAOYSA-N
XLogP3.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-(dimethylcarbamoylamino)benzoic acid
CID 115295927
4-bromo-2-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
CID 61193976
2-bromo-5-(cyclobutanecarbonylamino)benzoic acid
CID 115295680
2-chloro-5-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 61202978
2-bromo-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 113281211
2-bromo-5-[[butan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113281206
2-bromo-5-[[methyl(2-methylpropyl)carbamoyl]amino]benzoic acid
CID 115296696
3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea
CID 51301770
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
2-bromo-5-(2-methylpropanoylamino)benzoic acid
CID 115295746
2-bromo-5-(cyclopentylmethylcarbamoylamino)benzoic acid
CID 115296706
2-bromo-5-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]benzoic acid
CID 115296752

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid (CID 115296693) is 2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid is CN(C(=O)Nc1ccc(Br)c(C(=O)O)c1)C1CCCC1.
What is the InChIKey of 2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid?
The InChIKey is QCNPXMNSDLWTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-17(10-4-2-3-5-10)14(20)16-9-6-7-12(15)11(8-9)13(18)19/h6-8,10H,2-5H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid?
2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid has a molecular weight of 341.21 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 115296693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).