2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

C18H18ClF3N2O2 — CID 109000826

IUPAC2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CNc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N2O2/c1-26-16-5-3-2-4-12(16)8-9-23-17(25)11-24-15-7-6-13(19)10-14(15)18(20,21)22/h2-7,10,24H,8-9,11H2,1H3,(H,23,25)
InChIKeyKDVNOXWGNAVJPH-UHFFFAOYSA-N
MW386.80 g/mol
LogP4.14
Rot. Bonds7

About 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 109000826) has the molecular formula C18H18ClF3N2O2 and a molecular weight of 386.80 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID109000826
Molecular FormulaC18H18ClF3N2O2
Molecular Weight386.80 g/mol
Exact Mass386.10
IUPAC Name2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CNc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N2O2/c1-26-16-5-3-2-4-12(16)8-9-23-17(25)11-24-15-7-6-13(19)10-14(15)18(20,21)22/h2-7,10,24H,8-9,11H2,1H3,(H,23,25)
InChIKeyKDVNOXWGNAVJPH-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000723
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 86920518
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025290
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methoxy-5-methylanilino)acetamide
CID 2516960
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 86910700
N-[2-(2-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109000338
2-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000751
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108900378
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 109000826) is 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CNc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is KDVNOXWGNAVJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O2/c1-26-16-5-3-2-4-12(16)8-9-23-17(25)11-24-15-7-6-13(19)10-14(15)18(20,21)22/h2-7,10,24H,8-9,11H2,1H3,(H,23,25).
What are the key properties of 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 386.80 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 109000826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).