2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide

C17H25Cl2NO — CID 172722862

IUPAC2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1(Cl)C=CC(C2CCCCC2)=C(Cl)C1
InChIInChI=1S/C17H25Cl2NO/c1-12(2)20-16(21)11-17(19)9-8-14(15(18)10-17)13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,20,21)
InChIKeyGTDRLSYHOFCYBA-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.91
Rot. Bonds4

About 2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide

2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide (PubChem CID 172722862) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide
PubChem CID172722862
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1(Cl)C=CC(C2CCCCC2)=C(Cl)C1
InChIInChI=1S/C17H25Cl2NO/c1-12(2)20-16(21)11-17(19)9-8-14(15(18)10-17)13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,20,21)
InChIKeyGTDRLSYHOFCYBA-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide (CID 172722862) is 2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CC1(Cl)C=CC(C2CCCCC2)=C(Cl)C1.
What is the InChIKey of 2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide?
The InChIKey is GTDRLSYHOFCYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-12(2)20-16(21)11-17(19)9-8-14(15(18)10-17)13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide?
2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide has a molecular weight of 330.30 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dichloro-4-cyclohexylcyclohexa-2,4-dien-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 172722862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).