3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid

C16H14ClNO4 — CID 19176856

IUPAC3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H14ClNO4/c1-10(22-14-7-5-12(17)6-8-14)15(19)18-13-4-2-3-11(9-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyLOGADEITRMCTIL-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.44
Rot. Bonds5

About 3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid

3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid (PubChem CID 19176856) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is 3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid.

Molecular Properties

Compound Name3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
PubChem CID19176856
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H14ClNO4/c1-10(22-14-7-5-12(17)6-8-14)15(19)18-13-4-2-3-11(9-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyLOGADEITRMCTIL-UHFFFAOYSA-N
XLogP3.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 94016671
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8864581
3-[1-(4-chlorophenoxy)ethylcarbamoylamino]benzoic acid
CID 108879707
(2R)-2-(4-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 2665735
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
N-phenyl-3-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 54781105

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid?
The IUPAC name of 3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid (CID 19176856) is 3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid.
What is the SMILES notation for 3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid?
The canonical SMILES for 3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid is CC(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid?
The InChIKey is LOGADEITRMCTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-10(22-14-7-5-12(17)6-8-14)15(19)18-13-4-2-3-11(9-13)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid?
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid has a molecular weight of 319.74 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid is sourced from PubChem (CID 19176856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).