4-[2-(4-bromophenoxy)propanoylamino]benzoic acid

C16H14BrNO4 — CID 18837971

IUPAC4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14BrNO4/c1-10(22-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(3-7-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyWAFJROYTYWFMFP-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.55
Rot. Bonds5

About 4-[2-(4-bromophenoxy)propanoylamino]benzoic acid

4-[2-(4-bromophenoxy)propanoylamino]benzoic acid (PubChem CID 18837971) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is 4-[2-(4-bromophenoxy)propanoylamino]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
PubChem CID18837971
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Name4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H14BrNO4/c1-10(22-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(3-7-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyWAFJROYTYWFMFP-UHFFFAOYSA-N
XLogP3.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-bromophenoxy)propanoylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
(2R)-N-(4-bromophenyl)-2-(4-propanoylphenoxy)propanamide
CID 7788127
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
CID 2953787
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenoxy)propanoylamino]benzoic acid?
The IUPAC name of 4-[2-(4-bromophenoxy)propanoylamino]benzoic acid (CID 18837971) is 4-[2-(4-bromophenoxy)propanoylamino]benzoic acid.
What is the SMILES notation for 4-[2-(4-bromophenoxy)propanoylamino]benzoic acid?
The canonical SMILES for 4-[2-(4-bromophenoxy)propanoylamino]benzoic acid is CC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(4-bromophenoxy)propanoylamino]benzoic acid?
The InChIKey is WAFJROYTYWFMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-10(22-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(3-7-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[2-(4-bromophenoxy)propanoylamino]benzoic acid?
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid has a molecular weight of 364.20 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenoxy)propanoylamino]benzoic acid is sourced from PubChem (CID 18837971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).