6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide

C17H12ClN3O2 — CID 167835849

IUPAC6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide
SMILESO=C1Cc2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2N1
InChIInChI=1S/C17H12ClN3O2/c18-10-2-4-12-13(8-19-15(12)6-10)17(23)20-11-3-1-9-5-16(22)21-14(9)7-11/h1-4,6-8,19H,5H2,(H,20,23)(H,21,22)
InChIKeyLGRFNVVPIGLQFQ-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.57
Rot. Bonds2

About 6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide

6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide (PubChem CID 167835849) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide
PubChem CID167835849
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide
SMILESO=C1Cc2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2N1
InChIInChI=1S/C17H12ClN3O2/c18-10-2-4-12-13(8-19-15(12)6-10)17(23)20-11-3-1-9-5-16(22)21-14(9)7-11/h1-4,6-8,19H,5H2,(H,20,23)(H,21,22)
InChIKeyLGRFNVVPIGLQFQ-UHFFFAOYSA-N
XLogP3.57
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 113206465
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
6-chloro-N-(4-ethoxyphenyl)-1H-indole-3-carboxamide
CID 113206447
1,6-dimethyl-N-(2-oxo-1,3-dihydroindol-6-yl)indole-3-carboxamide
CID 166430768
6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide
CID 113206499
6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
CID 86611692
N-[(2-oxo-1,3-dihydroindol-6-yl)carbamoyl]benzamide
CID 165033132
1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
CID 165032229
2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 113208837
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-3-carboxamide
CID 113206502
6-chloro-1H-indole-3-carboxamide
CID 130666489
CID 170645729
CID 170645729

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide (CID 167835849) is 6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide is O=C1Cc2ccc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cc2N1.
What is the InChIKey of 6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide?
The InChIKey is LGRFNVVPIGLQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-10-2-4-12-13(8-19-15(12)6-10)17(23)20-11-3-1-9-5-16(22)21-14(9)7-11/h1-4,6-8,19H,5H2,(H,20,23)(H,21,22).
What are the key properties of 6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide?
6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide has a molecular weight of 325.76 g/mol, XLogP of 3.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-oxo-1,3-dihydroindol-6-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 167835849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).