N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide

C16H21Cl2NO — CID 63391287

IUPACN-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(CCCl)C1CCCCC1
InChIInChI=1S/C16H21Cl2NO/c17-10-11-19(15-4-2-1-3-5-15)16(20)12-13-6-8-14(18)9-7-13/h6-9,15H,1-5,10-12H2
InChIKeyBVTABEZLGOJUQG-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.28
Rot. Bonds5

About N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide

N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide (PubChem CID 63391287) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
PubChem CID63391287
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC NameN-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(CCCl)C1CCCCC1
InChIInChI=1S/C16H21Cl2NO/c17-10-11-19(15-4-2-1-3-5-15)16(20)12-13-6-8-14(18)9-7-13/h6-9,15H,1-5,10-12H2
InChIKeyBVTABEZLGOJUQG-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866603
2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 63391425
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576750
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
N-(3-chloropropyl)-N-cyclobutyl-2-(4-methylphenyl)acetamide
CID 102871873
N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide
CID 79016632
N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide
CID 76911867
N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 80652853
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113056717
N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
CID 102872699
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide?
The IUPAC name of N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide (CID 63391287) is N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide.
What is the SMILES notation for N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide?
The canonical SMILES for N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide is O=C(Cc1ccc(Cl)cc1)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide?
The InChIKey is BVTABEZLGOJUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c17-10-11-19(15-4-2-1-3-5-15)16(20)12-13-6-8-14(18)9-7-13/h6-9,15H,1-5,10-12H2.
What are the key properties of N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide?
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide has a molecular weight of 314.26 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide is sourced from PubChem (CID 63391287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).