7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide

C15H12ClN3O — CID 63117531

IUPAC7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)[nH]c12
InChIInChI=1S/C15H12ClN3O/c16-10-4-6-11(7-5-10)18-15(20)13-8-9-2-1-3-12(17)14(9)19-13/h1-8,19H,17H2,(H,18,20)
InChIKeySKWPFZOTFJQDDL-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.66
Rot. Bonds2

About 7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide

7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide (PubChem CID 63117531) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
PubChem CID63117531
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)[nH]c12
InChIInChI=1S/C15H12ClN3O/c16-10-4-6-11(7-5-10)18-15(20)13-8-9-2-1-3-12(17)14(9)19-13/h1-8,19H,17H2,(H,18,20)
InChIKeySKWPFZOTFJQDDL-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

7-amino-N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 62057891
7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide
CID 172922337
7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 79041127
7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide
CID 66251996
N-(4-bromophenyl)-7-chloro-1H-indole-2-carboxamide
CID 108791596
7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 114931643
7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide
CID 108791740
7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide
CID 62058461
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741
7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 108791683
7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide
CID 107594603
7-amino-N-propyl-1H-indole-2-carboxamide
CID 62056831

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide (CID 63117531) is 7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide is Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)[nH]c12.
What is the InChIKey of 7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide?
The InChIKey is SKWPFZOTFJQDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-10-4-6-11(7-5-10)18-15(20)13-8-9-2-1-3-12(17)14(9)19-13/h1-8,19H,17H2,(H,18,20).
What are the key properties of 7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide?
7-amino-N-(4-chlorophenyl)-1H-indole-2-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 7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63117531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).