3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide

C14H19FN2O2 — CID 113126629

IUPAC3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)C)c1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-10(2)16-14(19)8-9-17(11(3)18)13-7-5-4-6-12(13)15/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyHERSLSBFAIYSOQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.09
Rot. Bonds5

About 3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide

3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide (PubChem CID 113126629) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide
PubChem CID113126629
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)C)c1ccccc1F
InChIInChI=1S/C14H19FN2O2/c1-10(2)16-14(19)8-9-17(11(3)18)13-7-5-4-6-12(13)15/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyHERSLSBFAIYSOQ-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-(N-acetyl-2-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126725
3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 113126717
3-[acetyl(quinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 113133160
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide
CID 113130303
3-(N-acetyl-2-fluoroanilino)-N-benzyl-N-propan-2-ylpropanamide
CID 113126703
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745
3-(N-acetyl-2-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113126678
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide (CID 113126629) is 3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide is CC(=O)N(CCC(=O)NC(C)C)c1ccccc1F.
What is the InChIKey of 3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide?
The InChIKey is HERSLSBFAIYSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10(2)16-14(19)8-9-17(11(3)18)13-7-5-4-6-12(13)15/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide?
3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide has a molecular weight of 266.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-fluoroanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 113126629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).