N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C22H17ClF3NO4 — CID 100758535

IUPACN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCOc1cccc(Oc2ccc(Cl)cc2NC(=O)COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H17ClF3NO4/c1-29-16-5-3-7-18(12-16)31-20-9-8-15(23)11-19(20)27-21(28)13-30-17-6-2-4-14(10-17)22(24,25)26/h2-12H,13H2,1H3,(H,27,28)
InChIKeyCJZYCGNFESODPC-UHFFFAOYSA-N
MW451.83 g/mol
LogP6.18
Rot. Bonds7

About N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 100758535) has the molecular formula C22H17ClF3NO4 and a molecular weight of 451.83 g/mol. Its IUPAC name is N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID100758535
Molecular FormulaC22H17ClF3NO4
Molecular Weight451.83 g/mol
Exact Mass451.08
IUPAC NameN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCOc1cccc(Oc2ccc(Cl)cc2NC(=O)COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H17ClF3NO4/c1-29-16-5-3-7-18(12-16)31-20-9-8-15(23)11-19(20)27-21(28)13-30-17-6-2-4-14(10-17)22(24,25)26/h2-12H,13H2,1H3,(H,27,28)
InChIKeyCJZYCGNFESODPC-UHFFFAOYSA-N
XLogP6.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.83
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
N-(5-acetamido-2-methoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16564447
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34281761
N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2710232
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 100573365
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[5-chloro-2-(3-methoxyphenoxy)phenyl]acetamide
CID 100655365
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682
N-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870278
N-(5-acetamido-2-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55915573
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 100758535) is N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is COc1cccc(Oc2ccc(Cl)cc2NC(=O)COc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is CJZYCGNFESODPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3NO4/c1-29-16-5-3-7-18(12-16)31-20-9-8-15(23)11-19(20)27-21(28)13-30-17-6-2-4-14(10-17)22(24,25)26/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 451.83 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 100758535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).