5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide

C16H11Cl2FN4O2 — CID 169403345

IUPAC5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(Cl)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H11Cl2FN4O2/c17-9-2-4-13(25-7-8-1-3-10(19)6-12(8)18)11(5-9)14-15(16(20)24)22-23-21-14/h1-6H,7H2,(H2,20,24)(H,21,22,23)
InChIKeyGHKGHNAKNIQZFX-UHFFFAOYSA-N
MW381.19 g/mol
LogP3.60
Rot. Bonds5

About 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide

5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403345) has the molecular formula C16H11Cl2FN4O2 and a molecular weight of 381.19 g/mol. Its IUPAC name is 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID169403345
Molecular FormulaC16H11Cl2FN4O2
Molecular Weight381.19 g/mol
Exact Mass380.02
IUPAC Name5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cc(Cl)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C16H11Cl2FN4O2/c17-9-2-4-13(25-7-8-1-3-10(19)6-12(8)18)11(5-9)14-15(16(20)24)22-23-21-14/h1-6H,7H2,(H2,20,24)(H,21,22,23)
InChIKeyGHKGHNAKNIQZFX-UHFFFAOYSA-N
XLogP3.60
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400350
ethyl 5-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400714
5-[2-[(2,5-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402633
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402786
5-(5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169402198
5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]benzoyl chloride
CID 46779766
5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403348
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078
5-[5-fluoro-2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169403613
5-(3-chloro-5-fluoro-2-hydroxyphenyl)-2H-triazole-4-carboxamide
CID 169402286
5-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403507
ethyl 2-[2-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetate
CID 59786363

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide (CID 169403345) is 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cc(Cl)ccc1OCc1ccc(F)cc1Cl.
What is the InChIKey of 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is GHKGHNAKNIQZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4O2/c17-9-2-4-13(25-7-8-1-3-10(19)6-12(8)18)11(5-9)14-15(16(20)24)22-23-21-14/h1-6H,7H2,(H2,20,24)(H,21,22,23).
What are the key properties of 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 381.19 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).