methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate

C24H26ClNO3 — CID 22627488

IUPACmethyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate
SMILESCCCc1c(C(=O)C(C)C)c2cc(C(=O)OC)ccc2n1Cc1ccccc1Cl
InChIInChI=1S/C24H26ClNO3/c1-5-8-21-22(23(27)15(2)3)18-13-16(24(28)29-4)11-12-20(18)26(21)14-17-9-6-7-10-19(17)25/h6-7,9-13,15H,5,8,14H2,1-4H3
InChIKeyLIDNNBPQPISPDH-UHFFFAOYSA-N
MW411.93 g/mol
LogP5.92
Rot. Bonds7

About methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate

methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate (PubChem CID 22627488) has the molecular formula C24H26ClNO3 and a molecular weight of 411.93 g/mol. Its IUPAC name is methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate
PubChem CID22627488
Molecular FormulaC24H26ClNO3
Molecular Weight411.93 g/mol
Exact Mass411.16
IUPAC Namemethyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate
SMILESCCCc1c(C(=O)C(C)C)c2cc(C(=O)OC)ccc2n1Cc1ccccc1Cl
InChIInChI=1S/C24H26ClNO3/c1-5-8-21-22(23(27)15(2)3)18-13-16(24(28)29-4)11-12-20(18)26(21)14-17-9-6-7-10-19(17)25/h6-7,9-13,15H,5,8,14H2,1-4H3
InChIKeyLIDNNBPQPISPDH-UHFFFAOYSA-N
XLogP5.92
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.93
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate 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

methyl 1-[(2-chlorophenyl)methyl]-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylate
CID 22627324
methyl 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-propylindole-6-carboxylate
CID 10137253
methyl 1-[(2-chlorophenyl)methyl]-2-(2-methylpropanoyl)-3-propylindole-6-carboxylate
CID 22627428
methyl 1-[(2-chlorophenyl)methyl]-3-(2-ethoxyacetyl)-2-propylindole-6-carboxylate
CID 22627302
methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-prop-1-en-2-ylindole-6-carboxylate
CID 67624107
methyl 3-[(2-chlorophenyl)methyl]-1-(2-methylpropanoyl)-2-propylindolizine-6-carboxylate
CID 139765111
1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-propylindole-6-carboxylic acid
CID 10223376
1-[1-[(4-chloro-2-fluorophenyl)methyl]-2-propylindol-3-yl]-2-methylpropan-1-one
CID 54147653
1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylic acid
CID 22627202
3-(2-methylpropanoyl)-1-[(2-phenylphenyl)methyl]-2-propylindole-6-carboxamide
CID 22627505
1-[(2-chlorophenyl)methyl]-3-hexadecyl-2-propylindole-6-carboxylic acid
CID 150752665
1-[(2-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-2-propylindole-6-carboxamide
CID 22627368

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate?
The IUPAC name of methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate (CID 22627488) is methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate.
What is the SMILES notation for methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate?
The canonical SMILES for methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate is CCCc1c(C(=O)C(C)C)c2cc(C(=O)OC)ccc2n1Cc1ccccc1Cl.
What is the InChIKey of methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate?
The InChIKey is LIDNNBPQPISPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO3/c1-5-8-21-22(23(27)15(2)3)18-13-16(24(28)29-4)11-12-20(18)26(21)14-17-9-6-7-10-19(17)25/h6-7,9-13,15H,5,8,14H2,1-4H3.
What are the key properties of methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate?
methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate has a molecular weight of 411.93 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-5-carboxylate is sourced from PubChem (CID 22627488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).