4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid

C17H16BrNO4 — CID 28674733

IUPAC4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C17H16BrNO4/c1-9-6-11(17(21)22)4-5-14(9)19-16(20)13-8-12(18)7-10(2)15(13)23-3/h4-8H,1-3H3,(H,19,20)(H,21,22)
InChIKeyOQLUXHMYWWLXFO-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.03
Rot. Bonds4

About 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid

4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid (PubChem CID 28674733) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid
PubChem CID28674733
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1C
InChIInChI=1S/C17H16BrNO4/c1-9-6-11(17(21)22)4-5-14(9)19-16(20)13-8-12(18)7-10(2)15(13)23-3/h4-8H,1-3H3,(H,19,20)(H,21,22)
InChIKeyOQLUXHMYWWLXFO-UHFFFAOYSA-N
XLogP4.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
CID 28674729
4-[(5-bromo-2-methoxybenzoyl)amino]-3-methylbenzoic acid
CID 28671790
N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 3433416
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
3-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoic acid
CID 22777929
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 3379612
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
4-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-3-methylbenzoic acid
CID 28687751
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide
CID 3684602
4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid (CID 28674733) is 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid is COc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1C.
What is the InChIKey of 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid?
The InChIKey is OQLUXHMYWWLXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-9-6-11(17(21)22)4-5-14(9)19-16(20)13-8-12(18)7-10(2)15(13)23-3/h4-8H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid?
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid has a molecular weight of 378.22 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 28674733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).