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

C17H16BrNO4 — CID 2258349

IUPAC5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
SMILESCCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1
InChIInChI=1S/C17H16BrNO4/c1-2-9-23-13-6-3-11(4-7-13)16(20)19-15-8-5-12(18)10-14(15)17(21)22/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,22)
InChIKeyQSTMLQVXMZVHGY-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.19
Rot. Bonds6

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

5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid (PubChem CID 2258349) has the molecular formula C17H16BrNO4 and a molecular weight of 378.22 g/mol. Its IUPAC name is 5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
PubChem CID2258349
Molecular FormulaC17H16BrNO4
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
SMILESCCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1
InChIInChI=1S/C17H16BrNO4/c1-2-9-23-13-6-3-11(4-7-13)16(20)19-15-8-5-12(18)10-14(15)17(21)22/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,22)
InChIKeyQSTMLQVXMZVHGY-UHFFFAOYSA-N
XLogP4.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(4-propoxybenzoyl)carbamothioylamino]benzoic acid
CID 4513562
N-(4-bromo-2-iodophenyl)-4-propoxybenzamide
CID 3888317
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043
5-bromo-2-[[4-[2-(2-hydroxypyrrolidin-1-yl)ethoxy]benzoyl]amino]benzoic acid
CID 142865641
2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
CID 5181471
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-4-ethoxybenzamide
CID 3526024
5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 62050351
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid (CID 2258349) is 5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid is CCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cc1.
What is the InChIKey of 5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid?
The InChIKey is QSTMLQVXMZVHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4/c1-2-9-23-13-6-3-11(4-7-13)16(20)19-15-8-5-12(18)10-14(15)17(21)22/h3-8,10H,2,9H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid?
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid has a molecular weight of 378.22 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 2258349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).