7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide

C15H14ClN3O — CID 114455975

IUPAC7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide
SMILESNc1cccc2c1N(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C15H14ClN3O/c16-11-4-2-5-12(9-11)18-15(20)19-8-7-10-3-1-6-13(17)14(10)19/h1-6,9H,7-8,17H2,(H,18,20)
InChIKeyFKLUHJXFHITVBJ-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.52
Rot. Bonds1

About 7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide

7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 114455975) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID114455975
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide
SMILESNc1cccc2c1N(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C15H14ClN3O/c16-11-4-2-5-12(9-11)18-15(20)19-8-7-10-3-1-6-13(17)14(10)19/h1-6,9H,7-8,17H2,(H,18,20)
InChIKeyFKLUHJXFHITVBJ-UHFFFAOYSA-N
XLogP3.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114455689
(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 114455897
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-5-oxoimidazolidin-3-ium-1-carboxamide
CID 7345091
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one
CID 114455603
(1S)-N-(3-chlorophenyl)-1-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 1478882
N-(3-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140704
(2R)-N-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 8704432
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 114455754

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide (CID 114455975) is 7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide is Nc1cccc2c1N(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of 7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is FKLUHJXFHITVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-11-4-2-5-12(9-11)18-15(20)19-8-7-10-3-1-6-13(17)14(10)19/h1-6,9H,7-8,17H2,(H,18,20).
What are the key properties of 7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide?
7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-chlorophenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 114455975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).