N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide

C21H21N3O2 — CID 2470313

IUPACN-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C21H21N3O2/c25-20(12-9-14-13-22-18-7-3-1-5-16(14)18)24-19-8-4-2-6-17(19)21(26)23-15-10-11-15/h1-8,13,15,22H,9-12H2,(H,23,26)(H,24,25)
InChIKeyLSIADNBQHAUJAH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.63
Rot. Bonds6

About N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide

N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide (PubChem CID 2470313) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
PubChem CID2470313
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C21H21N3O2/c25-20(12-9-14-13-22-18-7-3-1-5-16(14)18)24-19-8-4-2-6-17(19)21(26)23-15-10-11-15/h1-8,13,15,22H,9-12H2,(H,23,26)(H,24,25)
InChIKeyLSIADNBQHAUJAH-UHFFFAOYSA-N
XLogP3.63
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]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-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960361
N-(2-acetylphenyl)-3-(1H-indol-3-yl)propanamide
CID 17403979
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
3-(1H-indol-3-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35326224
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
(2S)-3-(1H-indol-3-yl)-2-[[2-[[2-[3-(1H-indol-3-yl)propanoylamino]benzoyl]amino]benzoyl]amino]propanoic acid
CID 101045784
N-cyclopropyl-3-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 79382425

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide?
The IUPAC name of N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide (CID 2470313) is N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide is O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide?
The InChIKey is LSIADNBQHAUJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(12-9-14-13-22-18-7-3-1-5-16(14)18)24-19-8-4-2-6-17(19)21(26)23-15-10-11-15/h1-8,13,15,22H,9-12H2,(H,23,26)(H,24,25).
What are the key properties of N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide?
N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(1H-indol-3-yl)propanoylamino]benzamide is sourced from PubChem (CID 2470313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).