2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide

C17H16F2N2O2 — CID 113177593

IUPAC2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C17H16F2N2O2/c1-12(22)21(16-4-2-3-15(19)9-16)11-17(23)20-10-13-5-7-14(18)8-6-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyBPHFNEVHKCCVQN-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.63
Rot. Bonds5

About 2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide

2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 113177593) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID113177593
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C17H16F2N2O2/c1-12(22)21(16-4-2-3-15(19)9-16)11-17(23)20-10-13-5-7-14(18)8-6-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyBPHFNEVHKCCVQN-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113175132
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113178953
3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113132367
2-(N-acetyl-3-fluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113177666
2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113177580
2-(N-acetyl-3-bromoanilino)-N-benzylacetamide
CID 113177894
2-[N-acetyl-3-(trifluoromethyl)anilino]-N-benzylacetamide
CID 113175125
N-(4-acetamidophenyl)-2-(N-acetyl-3-fluoroanilino)acetamide
CID 113177708
2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113177608
4-amino-5-N-(3-fluorophenyl)-5-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3188697
methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 113176223

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide (CID 113177593) is 2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccc(F)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is BPHFNEVHKCCVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-12(22)21(16-4-2-3-15(19)9-16)11-17(23)20-10-13-5-7-14(18)8-6-13/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 318.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113177593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).