1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide

C22H20F6N2O2 — CID 17197875

IUPAC1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H20F6N2O2/c23-21(24,25)15-3-1-5-17(11-15)29-19(31)13-7-9-14(10-8-13)20(32)30-18-6-2-4-16(12-18)22(26,27)28/h1-6,11-14H,7-10H2,(H,29,31)(H,30,32)
InChIKeyWIDQQVOUTVWEQM-UHFFFAOYSA-N
MW458.40 g/mol
LogP6.11
Rot. Bonds4

About 1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide

1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide (PubChem CID 17197875) has the molecular formula C22H20F6N2O2 and a molecular weight of 458.40 g/mol. Its IUPAC name is 1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
PubChem CID17197875
Molecular FormulaC22H20F6N2O2
Molecular Weight458.40 g/mol
Exact Mass458.14
IUPAC Name1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H20F6N2O2/c23-21(24,25)15-3-1-5-17(11-15)29-19(31)13-7-9-14(10-8-13)20(32)30-18-6-2-4-16(12-18)22(26,27)28/h1-6,11-14H,7-10H2,(H,29,31)(H,30,32)
InChIKeyWIDQQVOUTVWEQM-UHFFFAOYSA-N
XLogP6.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.40
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155823176
1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145347
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133
4-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109146317
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
1-N-[3-(dimethylamino)propyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147332
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiane-3-carboxamide
CID 110860856
N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 2856990

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide (CID 17197875) is 1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is WIDQQVOUTVWEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N2O2/c23-21(24,25)15-3-1-5-17(11-15)29-19(31)13-7-9-14(10-8-13)20(32)30-18-6-2-4-16(12-18)22(26,27)28/h1-6,11-14H,7-10H2,(H,29,31)(H,30,32).
What are the key properties of 1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 458.40 g/mol, XLogP of 6.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 17197875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).