2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide

C13H17FN2O2 — CID 78769021

IUPAC2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
SMILESCC(=O)NC(C)C(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-9(15-10(2)17)13(18)16(3)8-11-6-4-5-7-12(11)14/h4-7,9H,8H2,1-3H3,(H,15,17)
InChIKeyGCEAJLAHUJBCSZ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.31
Rot. Bonds4

About 2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide

2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 78769021) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID78769021
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
SMILESCC(=O)NC(C)C(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-9(15-10(2)17)13(18)16(3)8-11-6-4-5-7-12(11)14/h4-7,9H,8H2,1-3H3,(H,15,17)
InChIKeyGCEAJLAHUJBCSZ-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 31138547
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
2-acetamido-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 78768765
2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
CID 43649648
(2R)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010281
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466993
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
CID 43650342

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide (CID 78769021) is 2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide is CC(=O)NC(C)C(=O)N(C)Cc1ccccc1F.
What is the InChIKey of 2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is GCEAJLAHUJBCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9(15-10(2)17)13(18)16(3)8-11-6-4-5-7-12(11)14/h4-7,9H,8H2,1-3H3,(H,15,17).
What are the key properties of 2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide?
2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 252.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 78769021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).