4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide

C24H19F3N4O3 — CID 1026940

IUPAC4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-n3nc(OC)nc3-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C24H19F3N4O3/c1-33-20-13-5-16(6-14-20)22(32)28-18-9-11-19(12-10-18)31-21(29-23(30-31)34-2)15-3-7-17(8-4-15)24(25,26)27/h3-14H,1-2H3,(H,28,32)
InChIKeyMSSOPWCIQRJOOL-UHFFFAOYSA-N
MW468.44 g/mol
LogP5.22
Rot. Bonds6

About 4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide

4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide (PubChem CID 1026940) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is 4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide
PubChem CID1026940
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Name4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-n3nc(OC)nc3-c3ccc(C(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C24H19F3N4O3/c1-33-20-13-5-16(6-14-20)22(32)28-18-9-11-19(12-10-18)31-21(29-23(30-31)34-2)15-3-7-17(8-4-15)24(25,26)27/h3-14H,1-2H3,(H,28,32)
InChIKeyMSSOPWCIQRJOOL-UHFFFAOYSA-N
XLogP5.22
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-ethyl-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-N-(4-phenylbutyl)benzamide
CID 141473863
3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473885
3-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473890
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 11647509
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 11667813
N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 24981327
1-[5-(4-Methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]-3-phenylurea
CID 118721483
N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 118737175
4-methoxy-N-[2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]phenyl]benzamide
CID 118737179
Benzamide, 4-methoxy-N-[2-[2-(4-propylphenyl)-2H-tetrazol-5-yl]phenyl]-
CID 118737181
4-methoxy-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
CID 134131064
4-methoxy-N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]benzamide
CID 134131216

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide (CID 1026940) is 4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-n3nc(OC)nc3-c3ccc(C(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide?
The InChIKey is MSSOPWCIQRJOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c1-33-20-13-5-16(6-14-20)22(32)28-18-9-11-19(12-10-18)31-21(29-23(30-31)34-2)15-3-7-17(8-4-15)24(25,26)27/h3-14H,1-2H3,(H,28,32).
What are the key properties of 4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide?
4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide has a molecular weight of 468.44 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 1026940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).