(1-benzyl-4-chloroindol-3-yl) acetate

C17H14ClNO2 — CID 54753129

IUPAC(1-benzyl-4-chloroindol-3-yl) acetate
SMILESCC(=O)Oc1cn(Cc2ccccc2)c2cccc(Cl)c12
InChIInChI=1S/C17H14ClNO2/c1-12(20)21-16-11-19(10-13-6-3-2-4-7-13)15-9-5-8-14(18)17(15)16/h2-9,11H,10H2,1H3
InChIKeyFMXGVHMXWFWHFH-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.27
Rot. Bonds3

About (1-benzyl-4-chloroindol-3-yl) acetate

(1-benzyl-4-chloroindol-3-yl) acetate (PubChem CID 54753129) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (1-benzyl-4-chloroindol-3-yl) acetate.

Molecular Properties

Compound Name(1-benzyl-4-chloroindol-3-yl) acetate
PubChem CID54753129
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(1-benzyl-4-chloroindol-3-yl) acetate
SMILESCC(=O)Oc1cn(Cc2ccccc2)c2cccc(Cl)c12
InChIInChI=1S/C17H14ClNO2/c1-12(20)21-16-11-19(10-13-6-3-2-4-7-13)15-9-5-8-14(18)17(15)16/h2-9,11H,10H2,1H3
InChIKeyFMXGVHMXWFWHFH-UHFFFAOYSA-N
XLogP4.27
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-benzyl-4-chloroindol-3-yl) acetate 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

(1-benzyl-5-methoxyindol-3-yl) acetate
CID 50941305
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203
2-(3-acetyloxy-5-bromo-4-chloroindol-1-yl)acetic acid
CID 175106393
(2,3,4,5,6-pentafluorophenyl) 1-benzylindole-3-carboxylate
CID 16681599
[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-4-yl] acetate
CID 67727148
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
1-benzyl-3-bromo-4-ethoxyindole
CID 173153674
(9-benzyl-4-methyl-1-propan-2-ylsulfanylcarbazol-2-yl) acetate
CID 67761724
1-[(4-fluorophenyl)methyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 21079394
1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46225414
methyl 2-[3-(2-amino-2-oxoethyl)-1-benzylindol-4-yl]-2-oxoacetate
CID 67726836
[1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indol-4-yl] acetate
CID 23514019

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-chloroindol-3-yl) acetate?
The IUPAC name of (1-benzyl-4-chloroindol-3-yl) acetate (CID 54753129) is (1-benzyl-4-chloroindol-3-yl) acetate.
What is the SMILES notation for (1-benzyl-4-chloroindol-3-yl) acetate?
The canonical SMILES for (1-benzyl-4-chloroindol-3-yl) acetate is CC(=O)Oc1cn(Cc2ccccc2)c2cccc(Cl)c12.
What is the InChIKey of (1-benzyl-4-chloroindol-3-yl) acetate?
The InChIKey is FMXGVHMXWFWHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-12(20)21-16-11-19(10-13-6-3-2-4-7-13)15-9-5-8-14(18)17(15)16/h2-9,11H,10H2,1H3.
What are the key properties of (1-benzyl-4-chloroindol-3-yl) acetate?
(1-benzyl-4-chloroindol-3-yl) acetate has a molecular weight of 299.76 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-chloroindol-3-yl) acetate is sourced from PubChem (CID 54753129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).