2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide

C16H15FN2O2 — CID 3424482

IUPAC2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O2/c1-11-6-8-12(9-7-11)19-15(20)10-18-16(21)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyFIXJGDQUXTYZCH-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.50
Rot. Bonds4

About 2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide

2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide (PubChem CID 3424482) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
PubChem CID3424482
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O2/c1-11-6-8-12(9-7-11)19-15(20)10-18-16(21)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyFIXJGDQUXTYZCH-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide
CID 9413646
2-fluoro-N-[2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]ethyl]benzamide
CID 55982413
2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533912
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26694803
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
CID 17421842
[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269936
2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071274
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide (CID 3424482) is 2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide is Cc1ccc(NC(=O)CNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is FIXJGDQUXTYZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-11-6-8-12(9-7-11)19-15(20)10-18-16(21)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide?
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 286.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 3424482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).