[1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate

C16H14ClNO4 — CID 5133366

IUPAC[1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
SMILESCC(OC(=O)c1ccccc1O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO4/c1-10(15(20)18-12-6-4-5-11(17)9-12)22-16(21)13-7-2-3-8-14(13)19/h2-10,19H,1H3,(H,18,20)
InChIKeyQRZMRAYWOMVOEQ-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.23
Rot. Bonds4

About [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate

[1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate (PubChem CID 5133366) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
PubChem CID5133366
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name[1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
SMILESCC(OC(=O)c1ccccc1O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClNO4/c1-10(15(20)18-12-6-4-5-11(17)9-12)22-16(21)13-7-2-3-8-14(13)19/h2-10,19H,1H3,(H,18,20)
InChIKeyQRZMRAYWOMVOEQ-UHFFFAOYSA-N
XLogP3.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate 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

2-[2-(4-Chlorophenoxy)acetamido]benzoic acid
CID 708990
N-(3-chlorophenyl)-2-hydroxybenzamide
CID 478807
2-{[(4-Chloro-2-methylphenoxy)acetyl]amino}benzoic acid
CID 839534
[2-(3-Chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2410760
2-Hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester
CID 2411091
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 4529951
2-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoic acid
CID 11186257
2-[[2-(2-Acetyl-4-chlorophenoxy)acetyl]amino]benzoic acid
CID 16221153
2-[[2-(2-Acetyl-5-chlorophenoxy)acetyl]amino]benzoic acid
CID 16221154
2-[[2-(2-Acetyl-4-chloro-5-fluorophenoxy)acetyl]amino]benzoic acid
CID 16221158
2-[[2-(2-Acetyl-5-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
CID 16221213
4-Chloro-2-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid
CID 2950887

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The IUPAC name of [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate (CID 5133366) is [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate.
What is the SMILES notation for [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The canonical SMILES for [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate is CC(OC(=O)c1ccccc1O)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
The InChIKey is QRZMRAYWOMVOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-10(15(20)18-12-6-4-5-11(17)9-12)22-16(21)13-7-2-3-8-14(13)19/h2-10,19H,1H3,(H,18,20).
What are the key properties of [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate?
[1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate has a molecular weight of 319.74 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloroanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate is sourced from PubChem (CID 5133366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).