N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide

C18H18ClF3N2O2 — CID 109000723

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
SMILESCOc1ccccc1CCNCC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N2O2/c1-26-16-5-3-2-4-12(16)8-9-23-11-17(25)24-15-7-6-13(19)10-14(15)18(20,21)22/h2-7,10,23H,8-9,11H2,1H3,(H,24,25)
InChIKeyRGSIUEDEYWVPPS-UHFFFAOYSA-N
MW386.80 g/mol
LogP4.14
Rot. Bonds7

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide (PubChem CID 109000723) has the molecular formula C18H18ClF3N2O2 and a molecular weight of 386.80 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
PubChem CID109000723
Molecular FormulaC18H18ClF3N2O2
Molecular Weight386.80 g/mol
Exact Mass386.10
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
SMILESCOc1ccccc1CCNCC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H18ClF3N2O2/c1-26-16-5-3-2-4-12(16)8-9-23-11-17(25)24-15-7-6-13(19)10-14(15)18(20,21)22/h2-7,10,23H,8-9,11H2,1H3,(H,24,25)
InChIKeyRGSIUEDEYWVPPS-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

Computed Properties (RDKit)

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

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Related Compounds

2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000826
N-(2,4-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000719
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
2-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000751
N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108998211
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methoxy-5-methylanilino)acetamide
CID 2516960
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001024
2-[2-(2-fluorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000124

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide (CID 109000723) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide is COc1ccccc1CCNCC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide?
The InChIKey is RGSIUEDEYWVPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O2/c1-26-16-5-3-2-4-12(16)8-9-23-11-17(25)24-15-7-6-13(19)10-14(15)18(20,21)22/h2-7,10,23H,8-9,11H2,1H3,(H,24,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]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 N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 109000723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).