N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide

C18H18ClF3N2O2 — CID 4969352

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide
SMILESCOc1ccccc1C(C)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H18ClF3N2O2/c1-11(13-5-3-4-6-16(13)26-2)23-10-17(25)24-15-9-12(18(20,21)22)7-8-14(15)19/h3-9,11,23H,10H2,1-2H3,(H,24,25)
InChIKeyCWUXCWWBIHLQNU-UHFFFAOYSA-N
MW386.80 g/mol
LogP4.66
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide (PubChem CID 4969352) has the molecular formula C18H18ClF3N2O2 and a molecular weight of 386.80 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide
PubChem CID4969352
Molecular FormulaC18H18ClF3N2O2
Molecular Weight386.80 g/mol
Exact Mass386.10
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide
SMILESCOc1ccccc1C(C)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H18ClF3N2O2/c1-11(13-5-3-4-6-16(13)26-2)23-10-17(25)24-15-9-12(18(20,21)22)7-8-14(15)19/h3-9,11,23H,10H2,1-2H3,(H,24,25)
InChIKeyCWUXCWWBIHLQNU-UHFFFAOYSA-N
XLogP4.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide (CID 4969352) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide is COc1ccccc1C(C)NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide?
The InChIKey is CWUXCWWBIHLQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O2/c1-11(13-5-3-4-6-16(13)26-2)23-10-17(25)24-15-9-12(18(20,21)22)7-8-14(15)19/h3-9,11,23H,10H2,1-2H3,(H,24,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide has a molecular weight of 386.80 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide is sourced from PubChem (CID 4969352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).