N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide

C13H15ClF3NO — CID 63395080

IUPACN-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CCCl)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15ClF3NO/c1-2-18(8-7-14)12(19)9-10-3-5-11(6-4-10)13(15,16)17/h3-6H,2,7-9H2,1H3
InChIKeyIIPBTFVDNCINFB-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.34
Rot. Bonds5

About N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide

N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 63395080) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID63395080
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC NameN-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CCCl)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15ClF3NO/c1-2-18(8-7-14)12(19)9-10-3-5-11(6-4-10)13(15,16)17/h3-6H,2,7-9H2,1H3
InChIKeyIIPBTFVDNCINFB-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.34
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

N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114184
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114873
N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78970529
N,N-bis(2-chloroethyl)-4-(trifluoromethyl)benzamide
CID 98658820
N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide
CID 79016632
N-[3-(chloromethyl)pentan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114304583
N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
CID 63395047
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847
N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 52763841
N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide
CID 60925934
2-[4-(difluoromethoxy)phenyl]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 60682400

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 63395080) is N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide is CCN(CCCl)C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IIPBTFVDNCINFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-2-18(8-7-14)12(19)9-10-3-5-11(6-4-10)13(15,16)17/h3-6H,2,7-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 293.72 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 63395080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).