4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide

C23H25FN2O3 — CID 109148460

IUPAC4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H25FN2O3/c1-15(27)19-3-2-4-21(13-19)26-23(29)18-9-7-17(8-10-18)22(28)25-14-16-5-11-20(24)12-6-16/h2-6,11-13,17-18H,7-10,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyLAJRYZAUXLVNAT-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.09
Rot. Bonds6

About 4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide

4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109148460) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109148460
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H25FN2O3/c1-15(27)19-3-2-4-21(13-19)26-23(29)18-9-7-17(8-10-18)22(28)25-14-16-5-11-20(24)12-6-16/h2-6,11-13,17-18H,7-10,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyLAJRYZAUXLVNAT-UHFFFAOYSA-N
XLogP4.09
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide with MolForge

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 31710504
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
(2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1443384
4-N-(2,6-dimethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148442
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
1-N-(3-acetamidophenyl)-2-N-[(4-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136122
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148113
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
1-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148585
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
N-(3-acetylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113007816

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109148460) is 4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide is CC(=O)c1cccc(NC(=O)C2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is LAJRYZAUXLVNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-15(27)19-3-2-4-21(13-19)26-23(29)18-9-7-17(8-10-18)22(28)25-14-16-5-11-20(24)12-6-16/h2-6,11-13,17-18H,7-10,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide?
4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 396.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).