2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide

C13H17FN2O3 — CID 23240473

IUPAC2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
SMILESCOCC(NC(C)=O)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C13H17FN2O3/c1-9(17)16-12(8-19-2)13(18)15-7-10-4-3-5-11(14)6-10/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXCVDGQBGMARFRY-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.59
Rot. Bonds6

About 2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide

2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide (PubChem CID 23240473) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
PubChem CID23240473
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
SMILESCOCC(NC(C)=O)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C13H17FN2O3/c1-9(17)16-12(8-19-2)13(18)15-7-10-4-3-5-11(14)6-10/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXCVDGQBGMARFRY-UHFFFAOYSA-N
XLogP0.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-N-[[4-[3-(3-fluorophenyl)propyl]phenyl]methyl]-3-methoxypropanamide
CID 44538364
(2R)-2-acetamido-N-[[4-[(3-fluoroanilino)methyl]phenyl]methyl]-3-methoxypropanamide
CID 44538367
2-acetamido-N-[[4-[3-(3-fluorophenoxy)propyl]phenyl]methyl]-3-methoxypropanamide
CID 75044819
2-acetamido-N-[[4-[difluoro-(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide
CID 75044765
(2R)-2-acetamido-N-[(3,4-dichlorophenyl)methyl]-3-methoxypropanamide
CID 46179903
(2R)-2-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 45486412
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
(2R)-2-acetamido-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)acetamide
CID 25031587
(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane
CID 160768830
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide?
The IUPAC name of 2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide (CID 23240473) is 2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide?
The canonical SMILES for 2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide is COCC(NC(C)=O)C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide?
The InChIKey is XCVDGQBGMARFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-9(17)16-12(8-19-2)13(18)15-7-10-4-3-5-11(14)6-10/h3-6,12H,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide?
2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide has a molecular weight of 268.29 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide is sourced from PubChem (CID 23240473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).