1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide

C22H17FN2O3 — CID 109049917

IUPAC1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H17FN2O3/c1-14(26)15-6-10-19(11-7-15)24-21(27)16-2-4-17(5-3-16)22(28)25-20-12-8-18(23)9-13-20/h2-13H,1H3,(H,24,27)(H,25,28)
InChIKeyCXRNAQKVGXRNKR-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.53
Rot. Bonds5

About 1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide

1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109049917) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109049917
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H17FN2O3/c1-14(26)15-6-10-19(11-7-15)24-21(27)16-2-4-17(5-3-16)22(28)25-20-12-8-18(23)9-13-20/h2-13H,1H3,(H,24,27)(H,25,28)
InChIKeyCXRNAQKVGXRNKR-UHFFFAOYSA-N
XLogP4.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22780471
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
N-(4-carbamothioylphenyl)-4-fluorobenzamide
CID 24710557
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
N-(4-fluorophenyl)-4-formamidobenzamide
CID 168651892
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671146
N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 46568918
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide (CID 109049917) is 1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is CC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is CXRNAQKVGXRNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-14(26)15-6-10-19(11-7-15)24-21(27)16-2-4-17(5-3-16)22(28)25-20-12-8-18(23)9-13-20/h2-13H,1H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide?
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109049917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).