2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide

C16H12ClFN2O2 — CID 110405916

IUPAC2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
SMILESCC1C(=O)Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc21
InChIInChI=1S/C16H12ClFN2O2/c1-8-10-7-9(5-6-13(10)20-15(8)21)19-16(22)14-11(17)3-2-4-12(14)18/h2-8H,1H3,(H,19,22)(H,20,21)
InChIKeyICKPKBDUORXKJF-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.79
Rot. Bonds2

About 2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide

2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide (PubChem CID 110405916) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
PubChem CID110405916
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC Name2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
SMILESCC1C(=O)Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc21
InChIInChI=1S/C16H12ClFN2O2/c1-8-10-7-9(5-6-13(10)20-15(8)21)19-16(22)14-11(17)3-2-4-12(14)18/h2-8H,1H3,(H,19,22)(H,20,21)
InChIKeyICKPKBDUORXKJF-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
1-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-3-phenylurea
CID 110405906
2-chloro-N-[4-(2,4-dioxo-1,3-oxazolidin-5-yl)phenyl]-6-fluorobenzamide
CID 110720619
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
CID 49170067
2-chloro-6-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110724904
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)cyclohexanecarboxamide
CID 110405857
5-bromo-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110667010
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
CID 7526639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide (CID 110405916) is 2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide is CC1C(=O)Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc21.
What is the InChIKey of 2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide?
The InChIKey is ICKPKBDUORXKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c1-8-10-7-9(5-6-13(10)20-15(8)21)19-16(22)14-11(17)3-2-4-12(14)18/h2-8H,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide?
2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide has a molecular weight of 318.74 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 110405916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).