N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid

C18H27FN2O4 — CID 154905412

IUPACN-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid
SMILESCOc1cc(F)ccc1CNC(=O)CCC(C)N1CCCC1.O=CO
InChIInChI=1S/C17H25FN2O2.CH2O2/c1-13(20-9-3-4-10-20)5-8-17(21)19-12-14-6-7-15(18)11-16(14)22-2;2-1-3/h6-7,11,13H,3-5,8-10,12H2,1-2H3,(H,19,21);1H,(H,2,3)
InChIKeyVFXJLXMUKHEUTR-UHFFFAOYSA-N
MW354.42 g/mol
LogP2.42
Rot. Bonds7

About N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid

N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid (PubChem CID 154905412) has the molecular formula C18H27FN2O4 and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid.

Molecular Properties

Compound NameN-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid
PubChem CID154905412
Molecular FormulaC18H27FN2O4
Molecular Weight354.42 g/mol
Exact Mass354.20
IUPAC NameN-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid
SMILESCOc1cc(F)ccc1CNC(=O)CCC(C)N1CCCC1.O=CO
InChIInChI=1S/C17H25FN2O2.CH2O2/c1-13(20-9-3-4-10-20)5-8-17(21)19-12-14-6-7-15(18)11-16(14)22-2;2-1-3/h6-7,11,13H,3-5,8-10,12H2,1-2H3,(H,19,21);1H,(H,2,3)
InChIKeyVFXJLXMUKHEUTR-UHFFFAOYSA-N
XLogP2.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluoro-2-methoxyphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 119060434
formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide
CID 154905765
(2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide
CID 126439717
5-[(5-fluoro-2-methoxyphenyl)methylamino]-5-oxopentanoic acid
CID 94696058
4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
CID 115162483
3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 25280715
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-[4-(4-fluorophenyl)pyrazol-1-yl]pentanamide
CID 91069507
N-[(8-methylquinolin-5-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 118788154
N-[(5-fluoro-2-methoxyphenyl)methyl]-4-(4-methylphenyl)sulfanylpentanamide
CID 90687889
3-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylpropyl)propanamide
CID 110620424

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid?
The IUPAC name of N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid (CID 154905412) is N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid.
What is the SMILES notation for N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid?
The canonical SMILES for N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid is COc1cc(F)ccc1CNC(=O)CCC(C)N1CCCC1.O=CO.
What is the InChIKey of N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid?
The InChIKey is VFXJLXMUKHEUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2.CH2O2/c1-13(20-9-3-4-10-20)5-8-17(21)19-12-14-6-7-15(18)11-16(14)22-2;2-1-3/h6-7,11,13H,3-5,8-10,12H2,1-2H3,(H,19,21);1H,(H,2,3).
What are the key properties of N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid?
N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid has a molecular weight of 354.42 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid is sourced from PubChem (CID 154905412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).