N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C19H26ClN3O2 — CID 119302844

IUPACN-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)C2CC3CCCCC3N2)cc1Cl
InChIInChI=1S/C19H26ClN3O2/c1-2-9-21-18(24)14-8-7-13(11-15(14)20)22-19(25)17-10-12-5-3-4-6-16(12)23-17/h7-8,11-12,16-17,23H,2-6,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyWBPJFNCRMHISFA-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.34
Rot. Bonds5

About N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119302844) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119302844
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC NameN-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)C2CC3CCCCC3N2)cc1Cl
InChIInChI=1S/C19H26ClN3O2/c1-2-9-21-18(24)14-8-7-13(11-15(14)20)22-19(25)17-10-12-5-3-4-6-16(12)23-17/h7-8,11-12,16-17,23H,2-6,9-10H2,1H3,(H,21,24)(H,22,25)
InChIKeyWBPJFNCRMHISFA-UHFFFAOYSA-N
XLogP3.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide 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

N-(3,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43103078
N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119319693
N-(3-chloro-4-ethoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119285013
N-(3-chloro-4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263900
N-(3-carbamoyl-4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119316558
N-(4-carbamoyl-3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119318631
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119862039
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119286246
(2S,3aS,7aS)-N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 124684537
N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 24699251
N-[[3-(propylcarbamoyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119287350
N-(3-propoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119284767

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119302844) is N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CCCNC(=O)c1ccc(NC(=O)C2CC3CCCCC3N2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is WBPJFNCRMHISFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-2-9-21-18(24)14-8-7-13(11-15(14)20)22-19(25)17-10-12-5-3-4-6-16(12)23-17/h7-8,11-12,16-17,23H,2-6,9-10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(propylcarbamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119302844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).