4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide

C21H21N3O2 — CID 109150350

IUPAC4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H21N3O2/c22-14-17-6-4-5-9-19(17)24-21(26)16-12-10-15(11-13-16)20(25)23-18-7-2-1-3-8-18/h1-9,15-16H,10-13H2,(H,23,25)(H,24,26)
InChIKeyMFQAIAHPTRZHPU-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.94
Rot. Bonds4

About 4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide

4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide (PubChem CID 109150350) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
PubChem CID109150350
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H21N3O2/c22-14-17-6-4-5-9-19(17)24-21(26)16-12-10-15(11-13-16)20(25)23-18-7-2-1-3-8-18/h1-9,15-16H,10-13H2,(H,23,25)(H,24,26)
InChIKeyMFQAIAHPTRZHPU-UHFFFAOYSA-N
XLogP3.94
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151123
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
CID 112989877
1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 17487362
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151131
N-(2-cyanophenyl)-1,1-dioxothiolane-3-carboxamide
CID 60674718
N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149507
methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754248
1-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109148526
4-N-(2-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148403

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide (CID 109150350) is 4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide is N#Cc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide?
The InChIKey is MFQAIAHPTRZHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c22-14-17-6-4-5-9-19(17)24-21(26)16-12-10-15(11-13-16)20(25)23-18-7-2-1-3-8-18/h1-9,15-16H,10-13H2,(H,23,25)(H,24,26).
What are the key properties of 4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide?
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).