3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide

C19H18ClN3O2 — CID 589064

IUPAC3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-12-15(16-7-2-3-8-17(16)22-12)9-10-21-19(25)23-18(24)13-5-4-6-14(20)11-13/h2-8,11,22H,9-10H2,1H3,(H2,21,23,24,25)
InChIKeyZEVYCQPUTLTHNJ-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.81
Rot. Bonds4

About 3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide

3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide (PubChem CID 589064) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide
PubChem CID589064
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-12-15(16-7-2-3-8-17(16)22-12)9-10-21-19(25)23-18(24)13-5-4-6-14(20)11-13/h2-8,11,22H,9-10H2,1H3,(H2,21,23,24,25)
InChIKeyZEVYCQPUTLTHNJ-UHFFFAOYSA-N
XLogP3.81
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide 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-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
4-chloro-N-[(2R)-3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylamino]-1-oxobutan-2-yl]benzamide
CID 52521357
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
N-[3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxo-1-phenylprop-1-en-2-yl]-3-nitrobenzamide
CID 3533805
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide (CID 589064) is 3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide is Cc1[nH]c2ccccc2c1CCNC(=O)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide?
The InChIKey is ZEVYCQPUTLTHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-15(16-7-2-3-8-17(16)22-12)9-10-21-19(25)23-18(24)13-5-4-6-14(20)11-13/h2-8,11,22H,9-10H2,1H3,(H2,21,23,24,25).
What are the key properties of 3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide?
3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide has a molecular weight of 355.83 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]benzamide is sourced from PubChem (CID 589064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).