N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide

C22H15F6NO2 — CID 11430575

IUPACN-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1
InChIInChI=1S/C22H15F6NO2/c1-31-19-5-3-2-4-16(19)20(30)29-15-9-6-13(7-10-15)17-12-14(21(23,24)25)8-11-18(17)22(26,27)28/h2-12H,1H3,(H,29,30)
InChIKeyPPSKETUMTSIHFN-UHFFFAOYSA-N
MW439.36 g/mol
LogP6.65
Rot. Bonds4

About N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide

N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide (PubChem CID 11430575) has the molecular formula C22H15F6NO2 and a molecular weight of 439.36 g/mol. Its IUPAC name is N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide
PubChem CID11430575
Molecular FormulaC22H15F6NO2
Molecular Weight439.36 g/mol
Exact Mass439.10
IUPAC NameN-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1
InChIInChI=1S/C22H15F6NO2/c1-31-19-5-3-2-4-16(19)20(30)29-15-9-6-13(7-10-15)17-12-14(21(23,24)25)8-11-18(17)22(26,27)28/h2-12H,1H3,(H,29,30)
InChIKeyPPSKETUMTSIHFN-UHFFFAOYSA-N
XLogP6.65
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 ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-3-chloro-2-methylbenzamide
CID 11248112
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methoxybenzamide
CID 1188387
2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 29176493
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
2-[(2-methoxybenzoyl)amino]-4-(trifluoromethyl)benzamide
CID 59299610
4-tert-butyl-N-[4-[[(2-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 4980574
4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 141401916
2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90012211
N-[4-(hydrazinecarbonyl)phenyl]-2-methoxybenzamide
CID 139030098
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide (CID 11430575) is N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide?
The InChIKey is PPSKETUMTSIHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6NO2/c1-31-19-5-3-2-4-16(19)20(30)29-15-9-6-13(7-10-15)17-12-14(21(23,24)25)8-11-18(17)22(26,27)28/h2-12H,1H3,(H,29,30).
What are the key properties of N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide?
N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide has a molecular weight of 439.36 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,5-bis(trifluoromethyl)phenyl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 11430575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).