3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide

C17H14F2N2O2 — CID 110730047

IUPAC3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
SMILESO=C(NCCN1C(=O)Cc2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N2O2/c18-13-6-5-12(9-14(13)19)17(23)20-7-8-21-15-4-2-1-3-11(15)10-16(21)22/h1-6,9H,7-8,10H2,(H,20,23)
InChIKeyFRWVXTWKJWSBTO-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.28
Rot. Bonds4

About 3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide

3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide (PubChem CID 110730047) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
PubChem CID110730047
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
SMILESO=C(NCCN1C(=O)Cc2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N2O2/c18-13-6-5-12(9-14(13)19)17(23)20-7-8-21-15-4-2-1-3-11(15)10-16(21)22/h1-6,9H,7-8,10H2,(H,20,23)
InChIKeyFRWVXTWKJWSBTO-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730041
3,4-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730027
2,3,4-trifluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730048
3-(2-fluorophenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide
CID 110730068
2-(3-methylphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730070
1-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 119745257
3,3-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]butanamide
CID 110730062
7-amino-N-[2-(2-oxo-3H-indol-1-yl)ethyl]heptanamide;hydrochloride
CID 119745258
2-methyl-3-(methylamino)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]propanamide;hydrochloride
CID 119745286
2-(4-methoxyphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730034
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
4-fluoro-3-methyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzenesulfonamide
CID 110730096

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide (CID 110730047) is 3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide is O=C(NCCN1C(=O)Cc2ccccc21)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide?
The InChIKey is FRWVXTWKJWSBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-13-6-5-12(9-14(13)19)17(23)20-7-8-21-15-4-2-1-3-11(15)10-16(21)22/h1-6,9H,7-8,10H2,(H,20,23).
What are the key properties of 3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide?
3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide has a molecular weight of 316.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide is sourced from PubChem (CID 110730047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).