4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide

C23H24FN3O2 — CID 109149090

IUPAC4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2CCC(C(=O)NCCc3ccccc3F)CC2)c1
InChIInChI=1S/C23H24FN3O2/c24-21-7-2-1-5-17(21)12-13-26-22(28)18-8-10-19(11-9-18)23(29)27-20-6-3-4-16(14-20)15-25/h1-7,14,18-19H,8-13H2,(H,26,28)(H,27,29)
InChIKeyKNXAOYHMDZLQNO-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.80
Rot. Bonds6

About 4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide

4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109149090) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
PubChem CID109149090
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
SMILESN#Cc1cccc(NC(=O)C2CCC(C(=O)NCCc3ccccc3F)CC2)c1
InChIInChI=1S/C23H24FN3O2/c24-21-7-2-1-5-17(21)12-13-26-22(28)18-8-10-19(11-9-18)23(29)27-20-6-3-4-16(14-20)15-25/h1-7,14,18-19H,8-13H2,(H,26,28)(H,27,29)
InChIKeyKNXAOYHMDZLQNO-UHFFFAOYSA-N
XLogP3.80
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948356
4-N-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148405
4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151170
4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147163
6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098571
1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136011
4-N-(3-fluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148399
4-N-(3-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147349
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide (CID 109149090) is 4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide is N#Cc1cccc(NC(=O)C2CCC(C(=O)NCCc3ccccc3F)CC2)c1.
What is the InChIKey of 4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is KNXAOYHMDZLQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-21-7-2-1-5-17(21)12-13-26-22(28)18-8-10-19(11-9-18)23(29)27-20-6-3-4-16(14-20)15-25/h1-7,14,18-19H,8-13H2,(H,26,28)(H,27,29).
What are the key properties of 4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide?
4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).