6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide

C17H15ClN2O3 — CID 132556750

IUPAC6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide
SMILESCN(C)C(=O)c1cc(Cl)cc2c1C(O)(c1ccccc1)C(=O)N2
InChIInChI=1S/C17H15ClN2O3/c1-20(2)15(21)12-8-11(18)9-13-14(12)17(23,16(22)19-13)10-6-4-3-5-7-10/h3-9,23H,1-2H3,(H,19,22)
InChIKeyPNFUICYZIOJQMH-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.23
Rot. Bonds2

About 6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide

6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide (PubChem CID 132556750) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide
PubChem CID132556750
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide
SMILESCN(C)C(=O)c1cc(Cl)cc2c1C(O)(c1ccccc1)C(=O)N2
InChIInChI=1S/C17H15ClN2O3/c1-20(2)15(21)12-8-11(18)9-13-14(12)17(23,16(22)19-13)10-6-4-3-5-7-10/h3-9,23H,1-2H3,(H,19,22)
InChIKeyPNFUICYZIOJQMH-UHFFFAOYSA-N
XLogP2.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide?
The IUPAC name of 6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide (CID 132556750) is 6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide.
What is the SMILES notation for 6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide?
The canonical SMILES for 6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide is CN(C)C(=O)c1cc(Cl)cc2c1C(O)(c1ccccc1)C(=O)N2.
What is the InChIKey of 6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide?
The InChIKey is PNFUICYZIOJQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-20(2)15(21)12-8-11(18)9-13-14(12)17(23,16(22)19-13)10-6-4-3-5-7-10/h3-9,23H,1-2H3,(H,19,22).
What are the key properties of 6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide?
6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide has a molecular weight of 330.77 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-hydroxy-N,N-dimethyl-2-oxo-3-phenyl-1H-indole-4-carboxamide is sourced from PubChem (CID 132556750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).