2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide

C15H25Cl2NO — CID 70451732

IUPAC2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide
SMILESCC1=C(N(CCCl)C(=O)CCl)CC(C)(C)CC1(C)C
InChIInChI=1S/C15H25Cl2NO/c1-11-12(18(7-6-16)13(19)9-17)8-14(2,3)10-15(11,4)5/h6-10H2,1-5H3
InChIKeyIOAXISQKDXINPZ-UHFFFAOYSA-N
MW306.28 g/mol
LogP4.41
Rot. Bonds4

About 2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide

2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide (PubChem CID 70451732) has the molecular formula C15H25Cl2NO and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide
PubChem CID70451732
Molecular FormulaC15H25Cl2NO
Molecular Weight306.28 g/mol
Exact Mass305.13
IUPAC Name2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide
SMILESCC1=C(N(CCCl)C(=O)CCl)CC(C)(C)CC1(C)C
InChIInChI=1S/C15H25Cl2NO/c1-11-12(18(7-6-16)13(19)9-17)8-14(2,3)10-15(11,4)5/h6-10H2,1-5H3
InChIKeyIOAXISQKDXINPZ-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 54.41
H-Bond Donors ≤ 50
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-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide (CID 70451732) is 2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide is CC1=C(N(CCCl)C(=O)CCl)CC(C)(C)CC1(C)C.
What is the InChIKey of 2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide?
The InChIKey is IOAXISQKDXINPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Cl2NO/c1-11-12(18(7-6-16)13(19)9-17)8-14(2,3)10-15(11,4)5/h6-10H2,1-5H3.
What are the key properties of 2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide?
2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide has a molecular weight of 306.28 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroethyl)-N-(2,3,3,5,5-pentamethylcyclohexen-1-yl)acetamide is sourced from PubChem (CID 70451732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).