3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide

C17H16ClN3O — CID 170876288

IUPAC3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide
SMILESNC(=O)CC(N)c1c(-c2cccc(Cl)c2)[nH]c2ccccc12
InChIInChI=1S/C17H16ClN3O/c18-11-5-3-4-10(8-11)17-16(13(19)9-15(20)22)12-6-1-2-7-14(12)21-17/h1-8,13,21H,9,19H2,(H2,20,22)
InChIKeyLQMUGQFBGXQHAB-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.36
Rot. Bonds4

About 3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide

3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide (PubChem CID 170876288) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide.

Molecular Properties

Compound Name3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide
PubChem CID170876288
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide
SMILESNC(=O)CC(N)c1c(-c2cccc(Cl)c2)[nH]c2ccccc12
InChIInChI=1S/C17H16ClN3O/c18-11-5-3-4-10(8-11)17-16(13(19)9-15(20)22)12-6-1-2-7-14(12)21-17/h1-8,13,21H,9,19H2,(H2,20,22)
InChIKeyLQMUGQFBGXQHAB-UHFFFAOYSA-N
XLogP3.36
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide?
The IUPAC name of 3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide (CID 170876288) is 3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide.
What is the SMILES notation for 3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide?
The canonical SMILES for 3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide is NC(=O)CC(N)c1c(-c2cccc(Cl)c2)[nH]c2ccccc12.
What is the InChIKey of 3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide?
The InChIKey is LQMUGQFBGXQHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c18-11-5-3-4-10(8-11)17-16(13(19)9-15(20)22)12-6-1-2-7-14(12)21-17/h1-8,13,21H,9,19H2,(H2,20,22).
What are the key properties of 3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide?
3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide has a molecular weight of 313.79 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[2-(3-chlorophenyl)-1H-indol-3-yl]propanamide is sourced from PubChem (CID 170876288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).