2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide

C18H19F3N2O — CID 24664447

IUPAC2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N(C)Cc2ccc(F)cc2F)cc1F
InChIInChI=1S/C18H19F3N2O/c1-11-4-7-15(9-16(11)20)22-18(24)12(2)23(3)10-13-5-6-14(19)8-17(13)21/h4-9,12H,10H2,1-3H3,(H,22,24)
InChIKeyPWSCKCRJHOMALL-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.87
Rot. Bonds5

About 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide

2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 24664447) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID24664447
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N(C)Cc2ccc(F)cc2F)cc1F
InChIInChI=1S/C18H19F3N2O/c1-11-4-7-15(9-16(11)20)22-18(24)12(2)23(3)10-13-5-6-14(19)8-17(13)21/h4-9,12H,10H2,1-3H3,(H,22,24)
InChIKeyPWSCKCRJHOMALL-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664454
N-(3,4-difluorophenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 46563659
N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488702
N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 55542481
(2S)-N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517821
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
2-[(5-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 105372419
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 55524827
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913099
(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8516700
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 4845097
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide (CID 24664447) is 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)N(C)Cc2ccc(F)cc2F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is PWSCKCRJHOMALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-11-4-7-15(9-16(11)20)22-18(24)12(2)23(3)10-13-5-6-14(19)8-17(13)21/h4-9,12H,10H2,1-3H3,(H,22,24).
What are the key properties of 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide?
2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 336.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 24664447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).