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

C15H14ClN3O — CID 43544036

IUPAC6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide
SMILESNc1ccc2c(c1)N(C(=O)Nc1ccccc1Cl)CC2
InChIInChI=1S/C15H14ClN3O/c16-12-3-1-2-4-13(12)18-15(20)19-8-7-10-5-6-11(17)9-14(10)19/h1-6,9H,7-8,17H2,(H,18,20)
InChIKeyIOPJUCYXCKJUTD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.52
Rot. Bonds1

About 6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide

6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 43544036) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID43544036
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide
SMILESNc1ccc2c(c1)N(C(=O)Nc1ccccc1Cl)CC2
InChIInChI=1S/C15H14ClN3O/c16-12-3-1-2-4-13(12)18-15(20)19-8-7-10-5-6-11(17)9-14(10)19/h1-6,9H,7-8,17H2,(H,18,20)
InChIKeyIOPJUCYXCKJUTD-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

6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
1-(6-amino-2,3-dihydroindol-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 28933951
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108886503
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
1-(6-amino-2,3-dihydroindol-1-yl)-2-piperidin-1-ylethanone
CID 20773361
1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 2940704
N-(2-ethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6468642
6-amino-N-(2-fluorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 61037785
1-(2-chlorophenyl)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099435

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide (CID 43544036) is 6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide is Nc1ccc2c(c1)N(C(=O)Nc1ccccc1Cl)CC2.
What is the InChIKey of 6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is IOPJUCYXCKJUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-12-3-1-2-4-13(12)18-15(20)19-8-7-10-5-6-11(17)9-14(10)19/h1-6,9H,7-8,17H2,(H,18,20).
What are the key properties of 6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide?
6-amino-N-(2-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 6-amino-N-(2-chlorophenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 43544036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).