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

C18H21FN2O2 — CID 18191621

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)Nc2ccccc2)cc1F
InChIInChI=1S/C18H21FN2O2/c1-13(18(22)20-15-7-5-4-6-8-15)21(2)12-14-9-10-17(23-3)16(19)11-14/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyFHFAKIILAIMXNV-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.29
Rot. Bonds6

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

2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide (PubChem CID 18191621) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
PubChem CID18191621
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)Nc2ccccc2)cc1F
InChIInChI=1S/C18H21FN2O2/c1-13(18(22)20-15-7-5-4-6-8-15)21(2)12-14-9-10-17(23-3)16(19)11-14/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyFHFAKIILAIMXNV-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432176
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 18088306
(2S)-N-benzhydryl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432288
(2R)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 9432531
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 46631362
(2S)-N-carbamoyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 8681047
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide
CID 47091088
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795725
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]butan-2-one
CID 62023874
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 9431803

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide (CID 18191621) is 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide is COc1ccc(CN(C)C(C)C(=O)Nc2ccccc2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide?
The InChIKey is FHFAKIILAIMXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13(18(22)20-15-7-5-4-6-8-15)21(2)12-14-9-10-17(23-3)16(19)11-14/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide?
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide has a molecular weight of 316.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide is sourced from PubChem (CID 18191621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).