N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide

C17H16F2N2O3 — CID 29415155

IUPACN-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O3/c1-2-24-13-6-4-12(5-7-13)21-16(22)10-20-17(23)14-8-3-11(18)9-15(14)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyDBJUIPDSCNNEQY-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide

N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 29415155) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID29415155
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H16F2N2O3/c1-2-24-13-6-4-12(5-7-13)21-16(22)10-20-17(23)14-8-3-11(18)9-15(14)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyDBJUIPDSCNNEQY-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide
CID 108573126
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CID 38107976
2-(2,5-difluoroanilino)-N-(4-ethoxyphenyl)acetamide
CID 42069587
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 30312687
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 9412541
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N'-(4-ethoxybenzoyl)-2,4-difluorobenzohydrazide
CID 8915144
2,4-difluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide (CID 29415155) is N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide is CCOc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is DBJUIPDSCNNEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-2-24-13-6-4-12(5-7-13)21-16(22)10-20-17(23)14-8-3-11(18)9-15(14)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 334.32 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 29415155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).