4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide

C17H17FN2O2 — CID 26850940

IUPAC4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(CNC(=O)CNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-12-2-4-13(5-3-12)10-19-16(21)11-20-17(22)14-6-8-15(18)9-7-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeySEIGBAOBAMWFNZ-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.18
Rot. Bonds5

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

4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 26850940) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID26850940
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(CNC(=O)CNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O2/c1-12-2-4-13(5-3-12)10-19-16(21)11-20-17(22)14-6-8-15(18)9-7-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeySEIGBAOBAMWFNZ-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

N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24553132
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
4-fluoro-N-[2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55947281
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 26887091
methyl 4-[[[2-[2-[(4-fluorobenzoyl)amino]acetyl]oxyacetyl]amino]methyl]benzoate
CID 7878196
4-fluoro-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 38401061
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide
CID 86976055
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 47300199

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide (CID 26850940) is 4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide is Cc1ccc(CNC(=O)CNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is SEIGBAOBAMWFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12-2-4-13(5-3-12)10-19-16(21)11-20-17(22)14-6-8-15(18)9-7-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[(4-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 4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 26850940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).