4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide

C23H22FN3O2 — CID 54813381

IUPAC4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CNc2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H22FN3O2/c1-16(17-5-3-2-4-6-17)26-23(29)18-7-11-21(12-8-18)27-22(28)15-25-20-13-9-19(24)10-14-20/h2-14,16,25H,15H2,1H3,(H,26,29)(H,27,28)
InChIKeyHBPQGQVYMXANMG-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.37
Rot. Bonds7

About 4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide

4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54813381) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54813381
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)CNc2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C23H22FN3O2/c1-16(17-5-3-2-4-6-17)26-23(29)18-7-11-21(12-8-18)27-22(28)15-25-20-13-9-19(24)10-14-20/h2-14,16,25H,15H2,1H3,(H,26,29)(H,27,28)
InChIKeyHBPQGQVYMXANMG-UHFFFAOYSA-N
XLogP4.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846054
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846371
4-[[2-[4-[methyl(phenyl)carbamoyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54838229
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813173
4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846203
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846430
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846404
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54846365
4-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54846408
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54813381) is 4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NC(=O)CNc2ccc(F)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is HBPQGQVYMXANMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-16(17-5-3-2-4-6-17)26-23(29)18-7-11-21(12-8-18)27-22(28)15-25-20-13-9-19(24)10-14-20/h2-14,16,25H,15H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide?
4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 391.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluoroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54813381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).