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

C17H13F3N4O2 — CID 2335100

IUPAC4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1
InChIInChI=1S/C17H13F3N4O2/c1-26-13-5-2-11(3-6-13)16(25)23-14-8-12(17(18,19)20)4-7-15(14)24-10-21-9-22-24/h2-10H,1H3,(H,23,25)
InChIKeyZTNDSERYCXZWOP-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.55
Rot. Bonds4

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

4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 2335100) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID2335100
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1
InChIInChI=1S/C17H13F3N4O2/c1-26-13-5-2-11(3-6-13)16(25)23-14-8-12(17(18,19)20)4-7-15(14)24-10-21-9-22-24/h2-10H,1H3,(H,23,25)
InChIKeyZTNDSERYCXZWOP-UHFFFAOYSA-N
XLogP3.55
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 131801162
N-(2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethoxy)phenyl)-4-(cyclopropylmethoxy)-3-methoxybenzamide
CID 137321168
2-phenoxy-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 42893203
N-(4-Methoxy-phenyl)-3-tetrazol-1-yl-benzamide
CID 644455
N-(4-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide
CID 1473812
3-(tetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9502972
4-(4-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 16263407
2-(4-fluorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 24399025
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 24980286
N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 70687563
4-ethoxy-3-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145953031

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide (CID 2335100) is 4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZTNDSERYCXZWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-26-13-5-2-11(3-6-13)16(25)23-14-8-12(17(18,19)20)4-7-15(14)24-10-21-9-22-24/h2-10H,1H3,(H,23,25).
What are the key properties of 4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 362.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2335100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).