2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide

C16H12F2N2O2 — CID 99842043

IUPAC2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
SMILESCN1C(=O)Cc2cc(NC(=O)c3cc(F)ccc3F)ccc21
InChIInChI=1S/C16H12F2N2O2/c1-20-14-5-3-11(6-9(14)7-15(20)21)19-16(22)12-8-10(17)2-4-13(12)18/h2-6,8H,7H2,1H3,(H,19,22)
InChIKeyJRNANEFIYNMSRF-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.74
Rot. Bonds2

About 2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide

2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide (PubChem CID 99842043) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
PubChem CID99842043
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
SMILESCN1C(=O)Cc2cc(NC(=O)c3cc(F)ccc3F)ccc21
InChIInChI=1S/C16H12F2N2O2/c1-20-14-5-3-11(6-9(14)7-15(20)21)19-16(22)12-8-10(17)2-4-13(12)18/h2-6,8H,7H2,1H3,(H,19,22)
InChIKeyJRNANEFIYNMSRF-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
CID 110777137
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl bromide
CID 115193255
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
3,5-dimethoxy-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
CID 16801840
1-(1-methyl-2-oxo-3H-indol-5-yl)-3-(4-methylphenyl)urea
CID 30375662
2-(2-fluorophenoxy)-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 18570797
N-(1-methyl-2-oxo-3H-indol-5-yl)-3-(trifluoromethyl)benzamide
CID 18570780
3-fluoro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571247
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805083

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide?
The IUPAC name of 2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide (CID 99842043) is 2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide?
The canonical SMILES for 2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide is CN1C(=O)Cc2cc(NC(=O)c3cc(F)ccc3F)ccc21.
What is the InChIKey of 2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide?
The InChIKey is JRNANEFIYNMSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-20-14-5-3-11(6-9(14)7-15(20)21)19-16(22)12-8-10(17)2-4-13(12)18/h2-6,8H,7H2,1H3,(H,19,22).
What are the key properties of 2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide?
2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide has a molecular weight of 302.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide is sourced from PubChem (CID 99842043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).