4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide

C18H16F2N4O4 — CID 55646276

IUPAC4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCOc1cc(C(=O)Nc2n[nH]c(-c3ccccc3OC)n2)ccc1OC(F)F
InChIInChI=1S/C18H16F2N4O4/c1-26-12-6-4-3-5-11(12)15-21-18(24-23-15)22-16(25)10-7-8-13(28-17(19)20)14(9-10)27-2/h3-9,17H,1-2H3,(H2,21,22,23,24,25)
InChIKeyLVXNPAHTXDDRAU-UHFFFAOYSA-N
MW390.35 g/mol
LogP3.34
Rot. Bonds7

About 4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 55646276) has the molecular formula C18H16F2N4O4 and a molecular weight of 390.35 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID55646276
Molecular FormulaC18H16F2N4O4
Molecular Weight390.35 g/mol
Exact Mass390.11
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESCOc1cc(C(=O)Nc2n[nH]c(-c3ccccc3OC)n2)ccc1OC(F)F
InChIInChI=1S/C18H16F2N4O4/c1-26-12-6-4-3-5-11(12)15-21-18(24-23-15)22-16(25)10-7-8-13(28-17(19)20)14(9-10)27-2/h3-9,17H,1-2H3,(H2,21,22,23,24,25)
InChIKeyLVXNPAHTXDDRAU-UHFFFAOYSA-N
XLogP3.34
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-N-[2-(difluoromethoxy)phenyl]-3-methoxybenzamide
CID 8502681
5-(difluoromethyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 166357435
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51119952
4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992058
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
3-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-propan-2-yloxybenzamide
CID 55833867
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 42993173
4-(difluoromethoxy)-3-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218194
4-(difluoromethoxy)-3-methoxy-N-(2-methylsulfanylphenyl)benzamide
CID 4864816
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 55646276) is 4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide is COc1cc(C(=O)Nc2n[nH]c(-c3ccccc3OC)n2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is LVXNPAHTXDDRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O4/c1-26-12-6-4-3-5-11(12)15-21-18(24-23-15)22-16(25)10-7-8-13(28-17(19)20)14(9-10)27-2/h3-9,17H,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 390.35 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 55646276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).