N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide

C17H17FN2O2 — CID 26696338

IUPACN-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
SMILESCc1cc(C)cc(NC(=O)CNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O2/c1-11-7-12(2)9-15(8-11)20-16(21)10-19-17(22)13-3-5-14(18)6-4-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyJTDHWGJTUDQOMY-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.81
Rot. Bonds4

About N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide

N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide (PubChem CID 26696338) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
PubChem CID26696338
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
SMILESCc1cc(C)cc(NC(=O)CNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O2/c1-11-7-12(2)9-15(8-11)20-16(21)10-19-17(22)13-3-5-14(18)6-4-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyJTDHWGJTUDQOMY-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-3,5-dimethylbenzamide
CID 86976055
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
N-[2-(4-ethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26697243
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635839
N-(3,5-dimethylphenyl)-3-(4-fluoroanilino)propanamide
CID 109035607
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide (CID 26696338) is N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide is Cc1cc(C)cc(NC(=O)CNC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is JTDHWGJTUDQOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11-7-12(2)9-15(8-11)20-16(21)10-19-17(22)13-3-5-14(18)6-4-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide?
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 300.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 26696338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).