(2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide

C19H23FN2O2 — CID 71102711

IUPAC(2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide
SMILESCC[C@H](C(=O)NCc1cc(CF)cnc1OC)c1cccc(C)c1
InChIInChI=1S/C19H23FN2O2/c1-4-17(15-7-5-6-13(2)8-15)18(23)21-12-16-9-14(10-20)11-22-19(16)24-3/h5-9,11,17H,4,10,12H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyGFLVGFQCEAWWAZ-KRWDZBQOSA-N
MW330.40 g/mol
LogP3.68
Rot. Bonds7

About (2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide

(2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide (PubChem CID 71102711) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide
PubChem CID71102711
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide
SMILESCC[C@H](C(=O)NCc1cc(CF)cnc1OC)c1cccc(C)c1
InChIInChI=1S/C19H23FN2O2/c1-4-17(15-7-5-6-13(2)8-15)18(23)21-12-16-9-14(10-20)11-22-19(16)24-3/h5-9,11,17H,4,10,12H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyGFLVGFQCEAWWAZ-KRWDZBQOSA-N
XLogP3.68
TPSA51.22 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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide with MolForge

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Related Compounds

(2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane
CID 143236897
(2S)-2-(3,4-dichlorophenyl)-N-[(5-ethyl-2-fluoro-3-pyridinyl)methyl]butanamide
CID 24753203
2-[[2-(4-methoxyphenyl)butanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 120687688
N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 133162435
(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
CID 92772191
N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide
CID 11501454
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-bromophenyl)butanamide
CID 24753291
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylbutanamide
CID 6462939
N-[(3-aminophenyl)methyl]-2-phenylbutanamide
CID 62499796
N-[(2,3-difluoro-4-methoxyphenyl)methyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50967911
(2S)-N'-[(6-amino-3-pyridinyl)methyl]-2-(3-methylphenyl)propanediamide
CID 68996888
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 95977617

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide?
The IUPAC name of (2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide (CID 71102711) is (2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide.
What is the SMILES notation for (2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide?
The canonical SMILES for (2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide is CC[C@H](C(=O)NCc1cc(CF)cnc1OC)c1cccc(C)c1.
What is the InChIKey of (2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide?
The InChIKey is GFLVGFQCEAWWAZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-4-17(15-7-5-6-13(2)8-15)18(23)21-12-16-9-14(10-20)11-22-19(16)24-3/h5-9,11,17H,4,10,12H2,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide?
(2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide has a molecular weight of 330.40 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide is sourced from PubChem (CID 71102711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).