N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide

C18H18F2N2O2 — CID 17413852

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H18F2N2O2/c1-3-12-6-4-5-7-16(12)21-17(23)11-22(2)18(24)14-10-13(19)8-9-15(14)20/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyYHMUQFVSKMZVDH-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide

N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide (PubChem CID 17413852) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
PubChem CID17413852
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C18H18F2N2O2/c1-3-12-6-4-5-7-16(12)21-17(23)11-22(2)18(24)14-10-13(19)8-9-15(14)20/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyYHMUQFVSKMZVDH-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide
CID 47067843
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 31931546
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 55532619
2,4-difluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 2568683
N-ethyl-2,5-difluoro-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 43018397
1-(2,5-difluorophenyl)-3-(2-ethylphenyl)urea
CID 6465020
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
N-(2-ethylphenyl)-2-[[2-(3-fluorophenoxy)acetyl]-methylamino]acetamide
CID 8699564
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269
1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide
CID 17454203
N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 55348131
4-chloro-2-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38768863

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide (CID 17413852) is N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)ccc1F.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide?
The InChIKey is YHMUQFVSKMZVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-3-12-6-4-5-7-16(12)21-17(23)11-22(2)18(24)14-10-13(19)8-9-15(14)20/h4-10H,3,11H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide has a molecular weight of 332.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 17413852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).