7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide

C16H14ClN3O — CID 66251996

IUPAC7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C16H14ClN3O/c1-9-4-2-6-11(17)14(9)20-16(21)13-8-10-5-3-7-12(18)15(10)19-13/h2-8,19H,18H2,1H3,(H,20,21)
InChIKeyKOOMCYODKKGRKW-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.96
Rot. Bonds2

About 7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide

7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide (PubChem CID 66251996) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide
PubChem CID66251996
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cc2cccc(N)c2[nH]1
InChIInChI=1S/C16H14ClN3O/c1-9-4-2-6-11(17)14(9)20-16(21)13-8-10-5-3-7-12(18)15(10)19-13/h2-8,19H,18H2,1H3,(H,20,21)
InChIKeyKOOMCYODKKGRKW-UHFFFAOYSA-N
XLogP3.96
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide (CID 66251996) is 7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cc2cccc(N)c2[nH]1.
What is the InChIKey of 7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide?
The InChIKey is KOOMCYODKKGRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-9-4-2-6-11(17)14(9)20-16(21)13-8-10-5-3-7-12(18)15(10)19-13/h2-8,19H,18H2,1H3,(H,20,21).
What are the key properties of 7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide?
7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 3.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 66251996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).