1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide

C22H24FN3O3 — CID 109151103

IUPAC1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C22H24FN3O3/c1-14(27)24-18-9-11-19(12-10-18)25-21(28)15-5-7-16(8-6-15)22(29)26-20-4-2-3-17(23)13-20/h2-4,9-13,15-16H,5-8H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyWTSZUFYMCJQTDI-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.17
Rot. Bonds5

About 1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide

1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109151103) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109151103
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C22H24FN3O3/c1-14(27)24-18-9-11-19(12-10-18)25-21(28)15-5-7-16(8-6-15)22(29)26-20-4-2-3-17(23)13-20/h2-4,9-13,15-16H,5-8H2,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyWTSZUFYMCJQTDI-UHFFFAOYSA-N
XLogP4.17
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[4-[(3-fluorophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151109
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
4-N-(3-fluorophenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109145001
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629868
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38324619
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
1-N-[3-(dimethylamino)propyl]-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109147342
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide (CID 109151103) is 1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide is CC(=O)Nc1ccc(NC(=O)C2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1.
What is the InChIKey of 1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is WTSZUFYMCJQTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-14(27)24-18-9-11-19(12-10-18)25-21(28)15-5-7-16(8-6-15)22(29)26-20-4-2-3-17(23)13-20/h2-4,9-13,15-16H,5-8H2,1H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide?
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 397.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109151103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).