2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide

C17H17FN2O2 — CID 38294563

IUPAC2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cccc(CNC(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C17H17FN2O2/c1-12-5-4-6-13(9-12)10-19-16(21)11-20-17(22)14-7-2-3-8-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeySZXCVTBTIUJWAB-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.18
Rot. Bonds5

About 2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 38294563) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID38294563
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1cccc(CNC(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C17H17FN2O2/c1-12-5-4-6-13(9-12)10-19-16(21)11-20-17(22)14-7-2-3-8-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeySZXCVTBTIUJWAB-UHFFFAOYSA-N
XLogP2.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992174
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
2-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzoic acid
CID 115923659
3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 33280259
N'-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945616
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108997018

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide (CID 38294563) is 2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide is Cc1cccc(CNC(=O)CNC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is SZXCVTBTIUJWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-5-4-6-13(9-12)10-19-16(21)11-20-17(22)14-7-2-3-8-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 300.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 38294563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).