(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide

C15H21FN2O2 — CID 31138547

IUPAC(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(=O)N[C@H](C(=O)N(C)Cc1ccccc1F)C(C)C
InChIInChI=1S/C15H21FN2O2/c1-10(2)14(17-11(3)19)15(20)18(4)9-12-7-5-6-8-13(12)16/h5-8,10,14H,9H2,1-4H3,(H,17,19)/t14-/m0/s1
InChIKeyVXZUZAMOSSINGC-AWEZNQCLSA-N
MW280.34 g/mol
LogP1.94
Rot. Bonds5

About (2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide

(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 31138547) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
PubChem CID31138547
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(=O)N[C@H](C(=O)N(C)Cc1ccccc1F)C(C)C
InChIInChI=1S/C15H21FN2O2/c1-10(2)14(17-11(3)19)15(20)18(4)9-12-7-5-6-8-13(12)16/h5-8,10,14H,9H2,1-4H3,(H,17,19)/t14-/m0/s1
InChIKeyVXZUZAMOSSINGC-AWEZNQCLSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 78769021
2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 134053978
(2R)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 79010281
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 30796588
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015
2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 18114298
2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
CID 43649648
(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 7779914
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925668
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide (CID 31138547) is (2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide is CC(=O)N[C@H](C(=O)N(C)Cc1ccccc1F)C(C)C.
What is the InChIKey of (2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is VXZUZAMOSSINGC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(2)14(17-11(3)19)15(20)18(4)9-12-7-5-6-8-13(12)16/h5-8,10,14H,9H2,1-4H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide?
(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 280.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 31138547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).