N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide

C22H15F6NO2 — CID 2542213

IUPACN-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1cccc(Oc2ccccc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H15F6NO2/c1-13-5-4-6-17(9-13)31-19-8-3-2-7-18(19)29-20(30)14-10-15(21(23,24)25)12-16(11-14)22(26,27)28/h2-12H,1H3,(H,29,30)
InChIKeySMTOLNFWCGARKR-UHFFFAOYSA-N
MW439.36 g/mol
LogP7.08
Rot. Bonds4

About N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 2542213) has the molecular formula C22H15F6NO2 and a molecular weight of 439.36 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID2542213
Molecular FormulaC22H15F6NO2
Molecular Weight439.36 g/mol
Exact Mass439.10
IUPAC NameN-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1cccc(Oc2ccccc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C22H15F6NO2/c1-13-5-4-6-17(9-13)31-19-8-3-2-7-18(19)29-20(30)14-10-15(21(23,24)25)12-16(11-14)22(26,27)28/h2-12H,1H3,(H,29,30)
InChIKeySMTOLNFWCGARKR-UHFFFAOYSA-N
XLogP7.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.36
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide
CID 7918318
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
(2R)-2-amino-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 78973374
N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2094760
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952
3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
N-(2-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 55487840
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide (CID 2542213) is N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide is Cc1cccc(Oc2ccccc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is SMTOLNFWCGARKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6NO2/c1-13-5-4-6-17(9-13)31-19-8-3-2-7-18(19)29-20(30)14-10-15(21(23,24)25)12-16(11-14)22(26,27)28/h2-12H,1H3,(H,29,30).
What are the key properties of N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 439.36 g/mol, XLogP of 7.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 2542213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).