2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide

C18H16Cl2F3NO2 — CID 16582112

IUPAC2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C18H16Cl2F3NO2/c19-15-6-5-14(16(20)8-15)7-17(25)24-9-12-1-3-13(4-2-12)10-26-11-18(21,22)23/h1-6,8H,7,9-11H2,(H,24,25)
InChIKeyKHMKPGIOAJKNEB-UHFFFAOYSA-N
MW406.23 g/mol
LogP4.93
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide

2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide (PubChem CID 16582112) has the molecular formula C18H16Cl2F3NO2 and a molecular weight of 406.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
PubChem CID16582112
Molecular FormulaC18H16Cl2F3NO2
Molecular Weight406.23 g/mol
Exact Mass405.05
IUPAC Name2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NCc1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C18H16Cl2F3NO2/c19-15-6-5-14(16(20)8-15)7-17(25)24-9-12-1-3-13(4-2-12)10-26-11-18(21,22)23/h1-6,8H,7,9-11H2,(H,24,25)
InChIKeyKHMKPGIOAJKNEB-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
2-(2,4-dichlorophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662831
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 18139669
1-(3-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33103491
2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 55601487
2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119699219
2,5-dichloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30342567
1-[(2-methylphenyl)methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24612899
2-(1-hydroxycyclopentyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 111430375
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 9217667
4-(3-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 41199851

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide (CID 16582112) is 2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide is O=C(Cc1ccc(Cl)cc1Cl)NCc1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is KHMKPGIOAJKNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F3NO2/c19-15-6-5-14(16(20)8-15)7-17(25)24-9-12-1-3-13(4-2-12)10-26-11-18(21,22)23/h1-6,8H,7,9-11H2,(H,24,25).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide?
2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 406.23 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 16582112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).