methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate

C19H17ClN2O3 — CID 29454881

IUPACmethyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H17ClN2O3/c1-25-19(24)12-6-8-15(20)17(10-12)22-18(23)9-7-13-11-21-16-5-3-2-4-14(13)16/h2-6,8,10-11,21H,7,9H2,1H3,(H,22,23)
InChIKeyGFPPJJWSZUTGLM-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.18
Rot. Bonds5

About methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate

methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate (PubChem CID 29454881) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate
PubChem CID29454881
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Namemethyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H17ClN2O3/c1-25-19(24)12-6-8-15(20)17(10-12)22-18(23)9-7-13-11-21-16-5-3-2-4-14(13)16/h2-6,8,10-11,21H,7,9H2,1H3,(H,22,23)
InChIKeyGFPPJJWSZUTGLM-UHFFFAOYSA-N
XLogP4.18
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate 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

N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209690
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 26159622
methyl 4-chloro-3-[(5-oxo-5-phenylpentanoyl)amino]benzoate
CID 110356123
N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 110864691
methyl 4-chloro-3-[3-(2-ethylanilino)propanoylamino]benzoate
CID 109036221
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate?
The IUPAC name of methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate (CID 29454881) is methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)CCc2c[nH]c3ccccc23)c1.
What is the InChIKey of methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate?
The InChIKey is GFPPJJWSZUTGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-25-19(24)12-6-8-15(20)17(10-12)22-18(23)9-7-13-11-21-16-5-3-2-4-14(13)16/h2-6,8,10-11,21H,7,9H2,1H3,(H,22,23).
What are the key properties of methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate?
methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate has a molecular weight of 356.81 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate is sourced from PubChem (CID 29454881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).