1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide

C18H22Cl2N2O2 — CID 55767547

IUPAC1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1(NC(=O)C=Cc2cc(Cl)ccc2Cl)CCCCC1
InChIInChI=1S/C18H22Cl2N2O2/c1-2-21-17(24)18(10-4-3-5-11-18)22-16(23)9-6-13-12-14(19)7-8-15(13)20/h6-9,12H,2-5,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyOBPFZZLSYBXOFH-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.96
Rot. Bonds5

About 1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide

1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide (PubChem CID 55767547) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is 1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide
PubChem CID55767547
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide
SMILESCCNC(=O)C1(NC(=O)C=Cc2cc(Cl)ccc2Cl)CCCCC1
InChIInChI=1S/C18H22Cl2N2O2/c1-2-21-17(24)18(10-4-3-5-11-18)22-16(23)9-6-13-12-14(19)7-8-15(13)20/h6-9,12H,2-5,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyOBPFZZLSYBXOFH-UHFFFAOYSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of 1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide (CID 55767547) is 1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide is CCNC(=O)C1(NC(=O)C=Cc2cc(Cl)ccc2Cl)CCCCC1.
What is the InChIKey of 1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide?
The InChIKey is OBPFZZLSYBXOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2/c1-2-21-17(24)18(10-4-3-5-11-18)22-16(23)9-6-13-12-14(19)7-8-15(13)20/h6-9,12H,2-5,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide?
1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide has a molecular weight of 369.29 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dichlorophenyl)prop-2-enoylamino]-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 55767547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).