N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide

C17H15ClN2O2 — CID 14856608

IUPACN-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
SMILESCC1(C)C(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C17H15ClN2O2/c1-17(2)13-7-6-10(8-14(13)20-16(17)22)15(21)19-12-5-3-4-11(18)9-12/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyJYGWRVMRMPHIQH-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.82
Rot. Bonds2

About N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide

N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide (PubChem CID 14856608) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
PubChem CID14856608
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
SMILESCC1(C)C(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C17H15ClN2O2/c1-17(2)13-7-6-10(8-14(13)20-16(17)22)15(21)19-12-5-3-4-11(18)9-12/h3-9H,1-2H3,(H,19,21)(H,20,22)
InChIKeyJYGWRVMRMPHIQH-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-oxo-N-phenyl-1H-indole-6-carboxamide
CID 14624056
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3,4-dichloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)benzamide
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4-amino-N-(3-chlorophenyl)-3-methylbenzamide
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3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide
CID 19832363
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CID 1369981
7-N-(3-chlorophenyl)-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 87468392
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
N-(3-chlorophenyl)-3-iodo-4-methylbenzamide
CID 1014193
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
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CID 18847548

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide (CID 14856608) is N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide is CC1(C)C(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3)ccc21.
What is the InChIKey of N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
The InChIKey is JYGWRVMRMPHIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-17(2)13-7-6-10(8-14(13)20-16(17)22)15(21)19-12-5-3-4-11(18)9-12/h3-9H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide?
N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide is sourced from PubChem (CID 14856608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).