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

C24H23F2N3O3 — CID 2437754

IUPAC2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C24H23F2N3O3/c1-2-16-11-13-17(14-12-16)28-23(31)18-7-3-4-8-19(18)27-15-22(30)29-20-9-5-6-10-21(20)32-24(25)26/h3-14,24,27H,2,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyZCCHOCKPEDTTEX-UHFFFAOYSA-N
MW439.46 g/mol
LogP5.15
Rot. Bonds9

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

2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide (PubChem CID 2437754) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is 2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
PubChem CID2437754
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC Name2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccccc2OC(F)F)cc1
InChIInChI=1S/C24H23F2N3O3/c1-2-16-11-13-17(14-12-16)28-23(31)18-7-3-4-8-19(18)27-15-22(30)29-20-9-5-6-10-21(20)32-24(25)26/h3-14,24,27H,2,15H2,1H3,(H,28,31)(H,29,30)
InChIKeyZCCHOCKPEDTTEX-UHFFFAOYSA-N
XLogP5.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.46
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 9106090
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 9106065
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
methyl 3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-2-methylbenzoate
CID 34075412
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9103988
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-(4-bromo-3-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9099494
N-[2-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 2425783
2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 42029832
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide?
The IUPAC name of 2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide (CID 2437754) is 2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccccc2OC(F)F)cc1.
What is the InChIKey of 2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide?
The InChIKey is ZCCHOCKPEDTTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c1-2-16-11-13-17(14-12-16)28-23(31)18-7-3-4-8-19(18)27-15-22(30)29-20-9-5-6-10-21(20)32-24(25)26/h3-14,24,27H,2,15H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide?
2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide has a molecular weight of 439.46 g/mol, XLogP of 5.15, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 2437754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).