4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide

C19H20FN3O3 — CID 55635839

IUPAC4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN3O3/c1-12(2)18(25)23-16-5-3-4-15(10-16)22-17(24)11-21-19(26)13-6-8-14(20)9-7-13/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyHDEQQDNTRZPNTO-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.79
Rot. Bonds6

About 4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide (PubChem CID 55635839) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
PubChem CID55635839
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN3O3/c1-12(2)18(25)23-16-5-3-4-15(10-16)22-17(24)11-21-19(26)13-6-8-14(20)9-7-13/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyHDEQQDNTRZPNTO-UHFFFAOYSA-N
XLogP2.79
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-diethoxy-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635770
N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54831796
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 60851547
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide
CID 38310248
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide (CID 55635839) is 4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide is CC(C)C(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide?
The InChIKey is HDEQQDNTRZPNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-12(2)18(25)23-16-5-3-4-15(10-16)22-17(24)11-21-19(26)13-6-8-14(20)9-7-13/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide has a molecular weight of 357.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55635839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).