N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide

C13H19FN2O2 — CID 115158215

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCOc1ccc(CNC(=O)CNC(C)C)cc1F
InChIInChI=1S/C13H19FN2O2/c1-9(2)15-8-13(17)16-7-10-4-5-12(18-3)11(14)6-10/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyOCLWWCACYDVYCR-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.45
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide (PubChem CID 115158215) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
PubChem CID115158215
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
SMILESCOc1ccc(CNC(=O)CNC(C)C)cc1F
InChIInChI=1S/C13H19FN2O2/c1-9(2)15-8-13(17)16-7-10-4-5-12(18-3)11(14)6-10/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyOCLWWCACYDVYCR-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158297
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
methyl 4-[(3-fluoro-4-methoxyphenyl)methylamino]-4-oxobutanoate
CID 94696051
N-[(3,4-dimethoxyphenyl)methyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]acetamide
CID 8890668
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 110780014
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
CID 119730114
N-[3-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33015490
methyl 4-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]benzoate
CID 18200158

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide (CID 115158215) is N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide is COc1ccc(CNC(=O)CNC(C)C)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is OCLWWCACYDVYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)15-8-13(17)16-7-10-4-5-12(18-3)11(14)6-10/h4-6,9,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide?
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 254.30 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 115158215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).