5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid

C15H19BrN2O3 — CID 63128962

IUPAC5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid
SMILESCCC1(C(=O)Nc2ccc(Br)cc2C(=O)O)CCNCC1
InChIInChI=1S/C15H19BrN2O3/c1-2-15(5-7-17-8-6-15)14(21)18-12-4-3-10(16)9-11(12)13(19)20/h3-4,9,17H,2,5-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyNWQUKBHJZUMMRD-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.87
Rot. Bonds4

About 5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid

5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid (PubChem CID 63128962) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid
PubChem CID63128962
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid
SMILESCCC1(C(=O)Nc2ccc(Br)cc2C(=O)O)CCNCC1
InChIInChI=1S/C15H19BrN2O3/c1-2-15(5-7-17-8-6-15)14(21)18-12-4-3-10(16)9-11(12)13(19)20/h3-4,9,17H,2,5-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyNWQUKBHJZUMMRD-UHFFFAOYSA-N
XLogP2.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-ethylcyclopentane-1-carboxamide
CID 82698254
N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide
CID 81291548
N-(4-bromo-2,5-difluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107611654
5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63143879
N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 55177203
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
4-ethyl-N-(2-methoxy-4-methylphenyl)piperidine-4-carboxamide
CID 63128400
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
N-(4-ethoxy-2-methylphenyl)-4-ethylpiperidine-4-carboxamide
CID 63128389
5-bromo-2-(ethylamino)benzoic acid
CID 12925315
5-bromo-2-[(5-ethylfuran-2-carbonyl)amino]benzoic acid
CID 62073783
N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107620276

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid (CID 63128962) is 5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid is CCC1(C(=O)Nc2ccc(Br)cc2C(=O)O)CCNCC1.
What is the InChIKey of 5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid?
The InChIKey is NWQUKBHJZUMMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-2-15(5-7-17-8-6-15)14(21)18-12-4-3-10(16)9-11(12)13(19)20/h3-4,9,17H,2,5-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid?
5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid has a molecular weight of 355.23 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63128962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).