N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide

C12H13Cl2F2NO — CID 107491039

IUPACN-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)N(CCCl)CC(F)F
InChIInChI=1S/C12H13Cl2F2NO/c13-4-5-17(8-11(15)16)12(18)7-9-2-1-3-10(14)6-9/h1-3,6,11H,4-5,7-8H2
InChIKeyWJYWUFSWCBZKLM-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.21
Rot. Bonds6

About N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide

N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide (PubChem CID 107491039) has the molecular formula C12H13Cl2F2NO and a molecular weight of 296.14 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide
PubChem CID107491039
Molecular FormulaC12H13Cl2F2NO
Molecular Weight296.14 g/mol
Exact Mass295.03
IUPAC NameN-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)N(CCCl)CC(F)F
InChIInChI=1S/C12H13Cl2F2NO/c13-4-5-17(8-11(15)16)12(18)7-9-2-1-3-10(14)6-9/h1-3,6,11H,4-5,7-8H2
InChIKeyWJYWUFSWCBZKLM-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.21
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-(3-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483052
N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide
CID 63398181
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
N-benzyl-N-(2-bromoethyl)-2-(3-chlorophenyl)acetamide
CID 80656058
N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide
CID 79016632
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide
CID 107491097
N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
CID 63395047
1-(3-chlorophenyl)propan-2-one
CID 2734097
2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
CID 39372981
3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 15113984
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide
CID 113468253
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide
CID 66182884

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide (CID 107491039) is N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide is O=C(Cc1cccc(Cl)c1)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide?
The InChIKey is WJYWUFSWCBZKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F2NO/c13-4-5-17(8-11(15)16)12(18)7-9-2-1-3-10(14)6-9/h1-3,6,11H,4-5,7-8H2.
What are the key properties of N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide?
N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide has a molecular weight of 296.14 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-(3-chlorophenyl)-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 107491039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).