6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide

C17H16ClN3O — CID 113206465

IUPAC6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H16ClN3O/c1-21(2)13-6-4-12(5-7-13)20-17(22)15-10-19-16-9-11(18)3-8-14(15)16/h3-10,19H,1-2H3,(H,20,22)
InChIKeySSEGNLOLNZLQER-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.14
Rot. Bonds3

About 6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide

6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide (PubChem CID 113206465) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide
PubChem CID113206465
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C17H16ClN3O/c1-21(2)13-6-4-12(5-7-13)20-17(22)15-10-19-16-9-11(18)3-8-14(15)16/h3-10,19H,1-2H3,(H,20,22)
InChIKeySSEGNLOLNZLQER-UHFFFAOYSA-N
XLogP4.14
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide
CID 113206447
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
1-acetyl-6-chloro-N-[4-(dimethylamino)phenyl]indole-3-carboxamide
CID 113213191
6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide
CID 167835849
6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide
CID 113206499
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-3-carboxamide
CID 113206502
N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110475032
N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide
CID 113206476
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
CID 43617232

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide (CID 113206465) is 6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide is CN(C)c1ccc(NC(=O)c2c[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of 6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide?
The InChIKey is SSEGNLOLNZLQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-21(2)13-6-4-12(5-7-13)20-17(22)15-10-19-16-9-11(18)3-8-14(15)16/h3-10,19H,1-2H3,(H,20,22).
What are the key properties of 6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide?
6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide has a molecular weight of 313.79 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 113206465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).