4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide

C21H20ClN3O2 — CID 109150947

IUPAC4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClN3O2/c22-17-6-2-4-8-19(17)25-21(27)15-11-9-14(10-12-15)20(26)24-18-7-3-1-5-16(18)13-23/h1-8,14-15H,9-12H2,(H,24,26)(H,25,27)
InChIKeyNFRNXEFBRRNPOM-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.60
Rot. Bonds4

About 4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide

4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150947) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150947
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
SMILESN#Cc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClN3O2/c22-17-6-2-4-8-19(17)25-21(27)15-11-9-14(10-12-15)20(26)24-18-7-3-1-5-16(18)13-23/h1-8,14-15H,9-12H2,(H,24,26)(H,25,27)
InChIKeyNFRNXEFBRRNPOM-UHFFFAOYSA-N
XLogP4.60
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
1-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109148526
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
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151123
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754248
N-(2-cyanophenyl)-1,1-dioxothiolane-3-carboxamide
CID 60674718
1-N-(2-cyanophenyl)-2-N-(2,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144163
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-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide (CID 109150947) is 4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide is N#Cc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is NFRNXEFBRRNPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-17-6-2-4-8-19(17)25-21(27)15-11-9-14(10-12-15)20(26)24-18-7-3-1-5-16(18)13-23/h1-8,14-15H,9-12H2,(H,24,26)(H,25,27).
What are the key properties of 4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide?
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).