2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

C18H17ClF3NO3 — CID 55712262

IUPAC2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C18H17ClF3NO3/c1-12-7-14(19)5-6-16(12)25-10-17(24)23-9-13-3-2-4-15(8-13)26-11-18(20,21)22/h2-8H,9-11H2,1H3,(H,23,24)
InChIKeyBVYSHSYPBLJRKL-UHFFFAOYSA-N
MW387.79 g/mol
LogP4.28
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (PubChem CID 55712262) has the molecular formula C18H17ClF3NO3 and a molecular weight of 387.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
PubChem CID55712262
Molecular FormulaC18H17ClF3NO3
Molecular Weight387.79 g/mol
Exact Mass387.08
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C18H17ClF3NO3/c1-12-7-14(19)5-6-16(12)25-10-17(24)23-9-13-3-2-4-15(8-13)26-11-18(20,21)22/h2-8H,9-11H2,1H3,(H,23,24)
InChIKeyBVYSHSYPBLJRKL-UHFFFAOYSA-N
XLogP4.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 43908495
N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33014645
2-(4-chloro-2-methylphenoxy)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 31916474
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
2-(4-chloro-2-methylphenoxy)-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]acetamide
CID 55945767
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide
CID 46447882
2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide
CID 26903383
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 108767736
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide (CID 55712262) is 2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NCc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
The InChIKey is BVYSHSYPBLJRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO3/c1-12-7-14(19)5-6-16(12)25-10-17(24)23-9-13-3-2-4-15(8-13)26-11-18(20,21)22/h2-8H,9-11H2,1H3,(H,23,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide has a molecular weight of 387.79 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 55712262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).