N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide

C17H18F2N2O — CID 46667072

IUPACN-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide
SMILESCCc1cccc(NC(C)C(=O)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C17H18F2N2O/c1-3-12-5-4-6-14(9-12)20-11(2)17(22)21-16-10-13(18)7-8-15(16)19/h4-11,20H,3H2,1-2H3,(H,21,22)
InChIKeyZUHXQHKYCLBGET-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.97
Rot. Bonds5

About N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide

N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide (PubChem CID 46667072) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide
PubChem CID46667072
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC NameN-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide
SMILESCCc1cccc(NC(C)C(=O)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C17H18F2N2O/c1-3-12-5-4-6-14(9-12)20-11(2)17(22)21-16-10-13(18)7-8-15(16)19/h4-11,20H,3H2,1-2H3,(H,21,22)
InChIKeyZUHXQHKYCLBGET-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethylanilino)-N-(2-fluoro-4-methylphenyl)propanamide
CID 78841829
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
(2S)-N-(5-fluoro-2-methylphenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide
CID 95173879
2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470
2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 134030730
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide
CID 43113769
(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
CID 40954484
(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
CID 25389306
N-(5-chloro-2-methoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 42911755

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide (CID 46667072) is N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide is CCc1cccc(NC(C)C(=O)Nc2cc(F)ccc2F)c1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide?
The InChIKey is ZUHXQHKYCLBGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-3-12-5-4-6-14(9-12)20-11(2)17(22)21-16-10-13(18)7-8-15(16)19/h4-11,20H,3H2,1-2H3,(H,21,22).
What are the key properties of N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide?
N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide has a molecular weight of 304.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide is sourced from PubChem (CID 46667072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).