N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide

C23H20F3NO3 — CID 7918318

IUPACN-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide
SMILESCOc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C23H20F3NO3/c1-14-9-15(2)11-16(10-14)22(28)27-20-12-17(23(24,25)26)7-8-21(20)30-19-6-4-5-18(13-19)29-3/h4-13H,1-3H3,(H,27,28)
InChIKeyDYYYKPMZBPAQMT-UHFFFAOYSA-N
MW415.41 g/mol
LogP6.38
Rot. Bonds5

About N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide

N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide (PubChem CID 7918318) has the molecular formula C23H20F3NO3 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide
PubChem CID7918318
Molecular FormulaC23H20F3NO3
Molecular Weight415.41 g/mol
Exact Mass415.14
IUPAC NameN-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide
SMILESCOc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C23H20F3NO3/c1-14-9-15(2)11-16(10-14)22(28)27-20-12-17(23(24,25)26)7-8-21(20)30-19-6-4-5-18(13-19)29-3/h4-13H,1-3H3,(H,27,28)
InChIKeyDYYYKPMZBPAQMT-UHFFFAOYSA-N
XLogP6.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.41
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
(3S)-N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 26201209
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1341626
N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 2542213
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
CID 100614872
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758535
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 2811387
4-chloro-N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1340542

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide (CID 7918318) is N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide is COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide?
The InChIKey is DYYYKPMZBPAQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO3/c1-14-9-15(2)11-16(10-14)22(28)27-20-12-17(23(24,25)26)7-8-21(20)30-19-6-4-5-18(13-19)29-3/h4-13H,1-3H3,(H,27,28).
What are the key properties of N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide?
N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide has a molecular weight of 415.41 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 7918318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).