2-bromo-5-(piperidine-2-carbonylamino)benzoic acid

C13H15BrN2O3 — CID 115296363

IUPAC2-bromo-5-(piperidine-2-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)C2CCCCN2)ccc1Br
InChIInChI=1S/C13H15BrN2O3/c14-10-5-4-8(7-9(10)13(18)19)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17)(H,18,19)
InChIKeyYUJMXHPKNRYTTM-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.23
Rot. Bonds3

About 2-bromo-5-(piperidine-2-carbonylamino)benzoic acid

2-bromo-5-(piperidine-2-carbonylamino)benzoic acid (PubChem CID 115296363) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-bromo-5-(piperidine-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-bromo-5-(piperidine-2-carbonylamino)benzoic acid
PubChem CID115296363
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name2-bromo-5-(piperidine-2-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)C2CCCCN2)ccc1Br
InChIInChI=1S/C13H15BrN2O3/c14-10-5-4-8(7-9(10)13(18)19)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17)(H,18,19)
InChIKeyYUJMXHPKNRYTTM-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(pyrrolidine-2-carbonylamino)benzoic acid
CID 123473480
2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 98566354
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
(2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide
CID 113266605
4-(azepane-2-carbonylamino)-2-hydroxybenzoic acid
CID 64564014
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
2-bromo-5-(cyclobutanecarbonylamino)benzoic acid
CID 115295680
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
2-bromo-5-[(4-hydroxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 115296411
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(piperidine-2-carbonylamino)benzoic acid?
The IUPAC name of 2-bromo-5-(piperidine-2-carbonylamino)benzoic acid (CID 115296363) is 2-bromo-5-(piperidine-2-carbonylamino)benzoic acid.
What is the SMILES notation for 2-bromo-5-(piperidine-2-carbonylamino)benzoic acid?
The canonical SMILES for 2-bromo-5-(piperidine-2-carbonylamino)benzoic acid is O=C(O)c1cc(NC(=O)C2CCCCN2)ccc1Br.
What is the InChIKey of 2-bromo-5-(piperidine-2-carbonylamino)benzoic acid?
The InChIKey is YUJMXHPKNRYTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-10-5-4-8(7-9(10)13(18)19)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17)(H,18,19).
What are the key properties of 2-bromo-5-(piperidine-2-carbonylamino)benzoic acid?
2-bromo-5-(piperidine-2-carbonylamino)benzoic acid has a molecular weight of 327.18 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(piperidine-2-carbonylamino)benzoic acid is sourced from PubChem (CID 115296363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).