3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid

C19H14BrNO3 — CID 28668607

IUPAC3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1cccc2c(Br)cccc12
InChIInChI=1S/C19H14BrNO3/c1-11-8-9-12(19(23)24)10-17(11)21-18(22)15-6-2-5-14-13(15)4-3-7-16(14)20/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyYWIZOCUKCCPKRV-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.86
Rot. Bonds3

About 3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid

3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid (PubChem CID 28668607) has the molecular formula C19H14BrNO3 and a molecular weight of 384.23 g/mol. Its IUPAC name is 3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid
PubChem CID28668607
Molecular FormulaC19H14BrNO3
Molecular Weight384.23 g/mol
Exact Mass383.02
IUPAC Name3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1cccc2c(Br)cccc12
InChIInChI=1S/C19H14BrNO3/c1-11-8-9-12(19(23)24)10-17(11)21-18(22)15-6-2-5-14-13(15)4-3-7-16(14)20/h2-10H,1H3,(H,21,22)(H,23,24)
InChIKeyYWIZOCUKCCPKRV-UHFFFAOYSA-N
XLogP4.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-3-methylbenzoic acid
CID 91673644
5-bromo-N-(2-hydroxy-4,5-dimethylphenyl)naphthalene-1-carboxamide
CID 3491041
5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide
CID 3475796
4-bromo-3-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 107812589
3-[[2-(aminomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 82546270
4-methyl-3-[(9-methylidenefluorene-1-carbonyl)amino]benzoic acid
CID 143780380
3-[(4,5-dibromothiophene-2-carbonyl)amino]-4-methylbenzoic acid
CID 43239573
3-[(2-ethoxybenzoyl)amino]-4-methylbenzoic acid
CID 16789136
3-[[5-(3-chlorophenyl)-2-methylbenzoyl]amino]-4-methylbenzoic acid
CID 78319505
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893
3-[(2-fluoro-5-methylbenzoyl)amino]-4-methylbenzoic acid
CID 62514248

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid?
The IUPAC name of 3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid (CID 28668607) is 3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)c1cccc2c(Br)cccc12.
What is the InChIKey of 3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid?
The InChIKey is YWIZOCUKCCPKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO3/c1-11-8-9-12(19(23)24)10-17(11)21-18(22)15-6-2-5-14-13(15)4-3-7-16(14)20/h2-10H,1H3,(H,21,22)(H,23,24).
What are the key properties of 3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid?
3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid has a molecular weight of 384.23 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromonaphthalene-1-carbonyl)amino]-4-methylbenzoic acid is sourced from PubChem (CID 28668607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).