N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C17H21Cl2N3O2 — CID 119268210

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(CNC(=O)C1CC2CCCCC2N1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H21Cl2N3O2/c18-11-5-6-12(19)14(8-11)22-16(23)9-20-17(24)15-7-10-3-1-2-4-13(10)21-15/h5-6,8,10,13,15,21H,1-4,7,9H2,(H,20,24)(H,22,23)
InChIKeyIZPSVVJZOUQIOG-UHFFFAOYSA-N
MW370.28 g/mol
LogP2.97
Rot. Bonds4

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

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119268210) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119268210
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESO=C(CNC(=O)C1CC2CCCCC2N1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H21Cl2N3O2/c18-11-5-6-12(19)14(8-11)22-16(23)9-20-17(24)15-7-10-3-1-2-4-13(10)21-15/h5-6,8,10,13,15,21H,1-4,7,9H2,(H,20,24)(H,22,23)
InChIKeyIZPSVVJZOUQIOG-UHFFFAOYSA-N
XLogP2.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,5-dichloroanilino)-2-oxoethyl]-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-(2,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43105847
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119269152
N-(4-chloro-2-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262288
N-[2-(3-fluoroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119308736
N-[(3-chlorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43515239
N-(3,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43103078
3-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119683795
N-[2-(tert-butylamino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43515209
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
N-(2-chloro-5-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 107528545
N-[(5-chlorothiophen-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 62061275
N-(3,5-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263211

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119268210) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is O=C(CNC(=O)C1CC2CCCCC2N1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is IZPSVVJZOUQIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c18-11-5-6-12(19)14(8-11)22-16(23)9-20-17(24)15-7-10-3-1-2-4-13(10)21-15/h5-6,8,10,13,15,21H,1-4,7,9H2,(H,20,24)(H,22,23).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 370.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119268210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).