N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide

C19H23FN2O2 — CID 18088306

IUPACN-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)NCc2ccccc2)cc1F
InChIInChI=1S/C19H23FN2O2/c1-14(19(23)21-12-15-7-5-4-6-8-15)22(2)13-16-9-10-18(24-3)17(20)11-16/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyMVKZLELOOALATA-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.97
Rot. Bonds7

About N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide

N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide (PubChem CID 18088306) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
PubChem CID18088306
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC NameN-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)NCc2ccccc2)cc1F
InChIInChI=1S/C19H23FN2O2/c1-14(19(23)21-12-15-7-5-4-6-8-15)22(2)13-16-9-10-18(24-3)17(20)11-16/h4-11,14H,12-13H2,1-3H3,(H,21,23)
InChIKeyMVKZLELOOALATA-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]methyl]benzoate
CID 46690122
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
(2S)-N-benzhydryl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432288
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795725
(2S)-N-carbamoyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 8681047
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]butan-2-one
CID 62023874
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 86931168
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667212
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667211
(2R)-2-[benzyl(methyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 32727323
(2R)-N-(benzylcarbamoyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanamide
CID 9494696

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide?
The IUPAC name of N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide (CID 18088306) is N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide is COc1ccc(CN(C)C(C)C(=O)NCc2ccccc2)cc1F.
What is the InChIKey of N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide?
The InChIKey is MVKZLELOOALATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14(19(23)21-12-15-7-5-4-6-8-15)22(2)13-16-9-10-18(24-3)17(20)11-16/h4-11,14H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide?
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide has a molecular weight of 330.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 18088306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).