4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid

C15H19BrN2O3 — CID 63655148

IUPAC4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCN(CC1CCCC1)C(=O)Nc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C15H19BrN2O3/c1-18(9-10-4-2-3-5-10)15(21)17-13-8-11(16)6-7-12(13)14(19)20/h6-8,10H,2-5,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyGVPIULDGHQTOMT-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.80
Rot. Bonds4

About 4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid

4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid (PubChem CID 63655148) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
PubChem CID63655148
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCN(CC1CCCC1)C(=O)Nc1cc(Br)ccc1C(=O)O
InChIInChI=1S/C15H19BrN2O3/c1-18(9-10-4-2-3-5-10)15(21)17-13-8-11(16)6-7-12(13)14(19)20/h6-8,10H,2-5,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyGVPIULDGHQTOMT-UHFFFAOYSA-N
XLogP3.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
4-bromo-2-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
CID 61193976
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63657376
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63112008
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 62854589
4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63656761
4-bromo-2-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid
CID 61202518
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea
CID 47032646
5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62073503
4-bromo-2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 63228803
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid (CID 63655148) is 4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid is CN(CC1CCCC1)C(=O)Nc1cc(Br)ccc1C(=O)O.
What is the InChIKey of 4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid?
The InChIKey is GVPIULDGHQTOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-18(9-10-4-2-3-5-10)15(21)17-13-8-11(16)6-7-12(13)14(19)20/h6-8,10H,2-5,9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid?
4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid has a molecular weight of 355.23 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 63655148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).