N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide

C23H22FN3O2 — CID 9106090

IUPACN-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H22FN3O2/c1-2-16-11-13-17(14-12-16)26-23(29)18-7-3-5-9-20(18)25-15-22(28)27-21-10-6-4-8-19(21)24/h3-14,25H,2,15H2,1H3,(H,26,29)(H,27,28)
InChIKeyHYOQYHAKOXQSSQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.69
Rot. Bonds7

About N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide

N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide (PubChem CID 9106090) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
PubChem CID9106090
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C23H22FN3O2/c1-2-16-11-13-17(14-12-16)26-23(29)18-7-3-5-9-20(18)25-15-22(28)27-21-10-6-4-8-19(21)24/h3-14,25H,2,15H2,1H3,(H,26,29)(H,27,28)
InChIKeyHYOQYHAKOXQSSQ-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 9106065
2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 2437754
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
2-[(4-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772170
2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9103988
1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049753
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9104019
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 28584361

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide (CID 9106090) is N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide is CCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is HYOQYHAKOXQSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-2-16-11-13-17(14-12-16)26-23(29)18-7-3-5-9-20(18)25-15-22(28)27-21-10-6-4-8-19(21)24/h3-14,25H,2,15H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide?
N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 391.45 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 9106090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).