N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide

C17H17F3N2O — CID 18094383

IUPACN-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide
SMILESCC(NC(C)c1ccccc1F)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F3N2O/c1-10(13-5-3-4-6-14(13)19)21-11(2)17(23)22-16-8-7-12(18)9-15(16)20/h3-11,21H,1-2H3,(H,22,23)
InChIKeyOAOJTUVQEZKXSU-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.78
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide

N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide (PubChem CID 18094383) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide
PubChem CID18094383
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide
SMILESCC(NC(C)c1ccccc1F)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F3N2O/c1-10(13-5-3-4-6-14(13)19)21-11(2)17(23)22-16-8-7-12(18)9-15(16)20/h3-11,21H,1-2H3,(H,22,23)
InChIKeyOAOJTUVQEZKXSU-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]propanamide
CID 51244088
2-[1-(2-fluorophenyl)ethylamino]-N-naphthalen-2-ylpropanamide
CID 18289661
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
2-[1-(2-fluorophenyl)ethylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 42896225
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019
2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide
CID 47027515
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63673161
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
CID 43225088
methyl 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 81380721
N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
CID 78754103

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide (CID 18094383) is N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide is CC(NC(C)c1ccccc1F)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide?
The InChIKey is OAOJTUVQEZKXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-10(13-5-3-4-6-14(13)19)21-11(2)17(23)22-16-8-7-12(18)9-15(16)20/h3-11,21H,1-2H3,(H,22,23).
What are the key properties of N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide?
N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide has a molecular weight of 322.33 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide is sourced from PubChem (CID 18094383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).