5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide

C15H12ClN3O — CID 63116419

IUPAC5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)Nc3ccccc3Cl)c2c1
InChIInChI=1S/C15H12ClN3O/c16-12-3-1-2-4-14(12)19-15(20)11-8-18-13-6-5-9(17)7-10(11)13/h1-8,18H,17H2,(H,19,20)
InChIKeyOKQVWSHRRBPTGO-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.66
Rot. Bonds2

About 5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide

5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide (PubChem CID 63116419) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide
PubChem CID63116419
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)Nc3ccccc3Cl)c2c1
InChIInChI=1S/C15H12ClN3O/c16-12-3-1-2-4-14(12)19-15(20)11-8-18-13-6-5-9(17)7-10(11)13/h1-8,18H,17H2,(H,19,20)
InChIKeyOKQVWSHRRBPTGO-UHFFFAOYSA-N
XLogP3.66
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 63116828
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
CID 63117023
N-(2,3-dichlorophenyl)-1H-indole-3-carboxamide
CID 43399264
5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide
CID 107596138
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide
CID 63116812
5-amino-N-(2-chlorophenyl)-2-fluorobenzamide
CID 43510734
5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide
CID 63116424
N-(2-bromo-3-chlorophenyl)-1H-indole-3-carboxamide
CID 103479873
6-amino-N-(2-methoxyphenyl)-1H-indole-3-carboxamide
CID 61089726
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide (CID 63116419) is 5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide is Nc1ccc2[nH]cc(C(=O)Nc3ccccc3Cl)c2c1.
What is the InChIKey of 5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide?
The InChIKey is OKQVWSHRRBPTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-12-3-1-2-4-14(12)19-15(20)11-8-18-13-6-5-9(17)7-10(11)13/h1-8,18H,17H2,(H,19,20).
What are the key properties of 5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide?
5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 3.66, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 63116419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).