3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one

C14H15Cl2NO — CID 825621

IUPAC3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(Nc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H15Cl2NO/c1-14(2)7-9(6-10(18)8-14)17-12-5-3-4-11(15)13(12)16/h3-6,17H,7-8H2,1-2H3
InChIKeyXKOVPXDPRUZPGN-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.68
Rot. Bonds2

About 3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one

3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 825621) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one
PubChem CID825621
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(Nc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H15Cl2NO/c1-14(2)7-9(6-10(18)8-14)17-12-5-3-4-11(15)13(12)16/h3-6,17H,7-8H2,1-2H3
InChIKeyXKOVPXDPRUZPGN-UHFFFAOYSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 744723
3-[(3-Chloro-4-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 832306
3-[(3-Chloro-4-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 549249
3-(3-Chloro-4-fluoroanilino)-4,4-dimethylcyclohex-2-en-1-one
CID 886231
3-(4-Chloroanilino)-5-methylcyclohex-2-en-1-one
CID 10105506
3-(3-Chloroanilino)-5-methylcyclohex-2-en-1-one
CID 11107333
N-(2,3-dichlorophenyl)cyclopentanecarboxamide
CID 844456
2-Cyclohexen-1-one, 5,5-dimethyl-3-(2-chlorophenylamino)-2-piperidinomethyl-, monohydrochloride
CID 3039942
2-Cyclohexen-1-one, 3-((2-chlorophenyl)amino)-
CID 3039944
2-Cyclohexen-1-one, 3-((2,3-dichlorophenyl)amino)-
CID 3073065
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-(2,3-dichlorophenyl)-2-ethylbutanamide
CID 882132

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one (CID 825621) is 3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one is CC1(C)CC(=O)C=C(Nc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is XKOVPXDPRUZPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-14(2)7-9(6-10(18)8-14)17-12-5-3-4-11(15)13(12)16/h3-6,17H,7-8H2,1-2H3.
What are the key properties of 3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one?
3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 284.19 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 825621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).