2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one

C17H17F2NO — CID 62051545

IUPAC2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)N(C)Cc1ccccc1
InChIInChI=1S/C17H17F2NO/c1-12(20(2)11-13-6-4-3-5-7-13)17(21)15-9-8-14(18)10-16(15)19/h3-10,12H,11H2,1-2H3
InChIKeyLMJVNLQUZOQZTH-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.67
Rot. Bonds5

About 2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one

2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one (PubChem CID 62051545) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one
PubChem CID62051545
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)N(C)Cc1ccccc1
InChIInChI=1S/C17H17F2NO/c1-12(20(2)11-13-6-4-3-5-7-13)17(21)15-9-8-14(18)10-16(15)19/h3-10,12H,11H2,1-2H3
InChIKeyLMJVNLQUZOQZTH-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-one
CID 81057731
1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62052958
(2R)-1-(2,4-difluorophenyl)-2-phenylmethoxypropan-1-one
CID 51063986
2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
CID 61413497
1-(2,4-difluorophenyl)-2-(2-phenylethoxy)propan-1-one
CID 43800781
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908
1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795408
(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
CID 9274676
2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
3-(N-benzyl-2,4-difluoroanilino)-2-methylpropanoic acid
CID 82317344
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one?
The IUPAC name of 2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one (CID 62051545) is 2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one is CC(C(=O)c1ccc(F)cc1F)N(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one?
The InChIKey is LMJVNLQUZOQZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-12(20(2)11-13-6-4-3-5-7-13)17(21)15-9-8-14(18)10-16(15)19/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one?
2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one has a molecular weight of 289.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 62051545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).