2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide

C20H19ClN2O2 — CID 18824632

IUPAC2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)C1CC=CCC1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O2/c21-17-12-6-7-13-18(17)23-20(25)16-11-5-4-10-15(16)19(24)22-14-8-2-1-3-9-14/h1-9,12-13,15-16H,10-11H2,(H,22,24)(H,23,25)
InChIKeyRRDULYMJRQATBZ-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.50
Rot. Bonds4

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

2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide (PubChem CID 18824632) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide
PubChem CID18824632
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide
SMILESO=C(Nc1ccccc1)C1CC=CCC1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O2/c21-17-12-6-7-13-18(17)23-20(25)16-11-5-4-10-15(16)19(24)22-14-8-2-1-3-9-14/h1-9,12-13,15-16H,10-11H2,(H,22,24)(H,23,25)
InChIKeyRRDULYMJRQATBZ-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.50
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-[(2-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7058222
2-N-(2-chlorophenyl)-1-N-(3,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142850
1-N-(2-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142354
2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142602
trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077
1-N-(2-chlorophenyl)-2-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142847
1-N-(2-chlorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142814
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
(1S,6S)-6-[(4-chlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 795167
(1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
CID 2054823
2-N-(2-benzoyl-4-chlorophenyl)-1-N-(4-chlorophenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 18873769
(1S,6S)-6-[[2-[(3-chlorophenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 982144

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide (CID 18824632) is 2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide is O=C(Nc1ccccc1)C1CC=CCC1C(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is RRDULYMJRQATBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-17-12-6-7-13-18(17)23-20(25)16-11-5-4-10-15(16)19(24)22-14-8-2-1-3-9-14/h1-9,12-13,15-16H,10-11H2,(H,22,24)(H,23,25).
What are the key properties of 2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide?
2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 18824632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).