2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide

C17H19ClN2O — CID 4208427

IUPAC2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
SMILESC=C(C)C1CC=C(C)C(=NNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C17H19ClN2O/c1-11(2)13-9-8-12(3)16(10-13)19-20-17(21)14-6-4-5-7-15(14)18/h4-8,13H,1,9-10H2,2-3H3,(H,20,21)
InChIKeyQUGDAOYNZUANFU-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.36
Rot. Bonds3

About 2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide

2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide (PubChem CID 4208427) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
PubChem CID4208427
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC Name2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
SMILESC=C(C)C1CC=C(C)C(=NNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C17H19ClN2O/c1-11(2)13-9-8-12(3)16(10-13)19-20-17(21)14-6-4-5-7-15(14)18/h4-8,13H,1,9-10H2,2-3H3,(H,20,21)
InChIKeyQUGDAOYNZUANFU-UHFFFAOYSA-N
XLogP4.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide?
The IUPAC name of 2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide (CID 4208427) is 2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide.
What is the SMILES notation for 2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide?
The canonical SMILES for 2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide is C=C(C)C1CC=C(C)C(=NNC(=O)c2ccccc2Cl)C1.
What is the InChIKey of 2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide?
The InChIKey is QUGDAOYNZUANFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11(2)13-9-8-12(3)16(10-13)19-20-17(21)14-6-4-5-7-15(14)18/h4-8,13H,1,9-10H2,2-3H3,(H,20,21).
What are the key properties of 2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide?
2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide has a molecular weight of 302.80 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide is sourced from PubChem (CID 4208427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).