2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide

C21H21ClN2O2 — CID 18873752

IUPAC2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC=CCC2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H21ClN2O2/c1-14-6-10-16(11-7-14)23-20(25)18-4-2-3-5-19(18)21(26)24-17-12-8-15(22)9-13-17/h2-3,6-13,18-19H,4-5H2,1H3,(H,23,25)(H,24,26)
InChIKeyJBYDZBVCUBCPPE-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.81
Rot. Bonds4

About 2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide

2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide (PubChem CID 18873752) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
PubChem CID18873752
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)C2CC=CCC2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H21ClN2O2/c1-14-6-10-16(11-7-14)23-20(25)18-4-2-3-5-19(18)21(26)24-17-12-8-15(22)9-13-17/h2-3,6-13,18-19H,4-5H2,1H3,(H,23,25)(H,24,26)
InChIKeyJBYDZBVCUBCPPE-UHFFFAOYSA-N
XLogP4.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,6S)-6-[(4-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 795167
1-N-(4-chlorophenyl)-2-N-pyridin-4-ylcyclohex-4-ene-1,2-dicarboxamide
CID 18873761
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
1-N-(4-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135518
(1R,6R)-6-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6958162
3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide
CID 73277699
1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142356
2-N-(4-chlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141594
4-[[6-[(4-carboxyphenyl)carbamoyl]cyclohex-3-ene-1-carbonyl]amino]benzoic acid
CID 18873811
6-[(3-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 588270
6-[(4-chlorophenyl)carbamoyl]-4-methylcyclohex-3-ene-1-carboxylic acid
CID 13388368
2-N-(2-benzoyl-4-chlorophenyl)-1-N-(4-chlorophenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 18873769

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide (CID 18873752) is 2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide is Cc1ccc(NC(=O)C2CC=CCC2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is JBYDZBVCUBCPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-14-6-10-16(11-7-14)23-20(25)18-4-2-3-5-19(18)21(26)24-17-12-8-15(22)9-13-17/h2-3,6-13,18-19H,4-5H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide?
2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 368.86 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 18873752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).