2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide

C25H26FN3O2 — CID 9103988

IUPAC2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
SMILESCCc1cccc(CC)c1NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H26FN3O2/c1-3-17-8-7-9-18(4-2)24(17)29-23(30)16-27-22-11-6-5-10-21(22)25(31)28-20-14-12-19(26)13-15-20/h5-15,27H,3-4,16H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyPATUCXHQYJOAOW-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.25
Rot. Bonds8

About 2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide

2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide (PubChem CID 9103988) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
PubChem CID9103988
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
SMILESCCc1cccc(CC)c1NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H26FN3O2/c1-3-17-8-7-9-18(4-2)24(17)29-23(30)16-27-22-11-6-5-10-21(22)25(31)28-20-14-12-19(26)13-15-20/h5-15,27H,3-4,16H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyPATUCXHQYJOAOW-UHFFFAOYSA-N
XLogP5.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 9106090
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9104019
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoic acid
CID 71835143
2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide
CID 86881942
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 9106065
N-(2,6-diethylphenyl)-2-(2-ethoxyanilino)acetamide
CID 8965705
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 2437754
N-(2,6-diethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008077
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106324
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide (CID 9103988) is 2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide is CCc1cccc(CC)c1NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide?
The InChIKey is PATUCXHQYJOAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-3-17-8-7-9-18(4-2)24(17)29-23(30)16-27-22-11-6-5-10-21(22)25(31)28-20-14-12-19(26)13-15-20/h5-15,27H,3-4,16H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide?
2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide has a molecular weight of 419.50 g/mol, XLogP of 5.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 9103988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).