5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide

C16H12ClFN4O2 — CID 169402462

IUPAC5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cccc(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H12ClFN4O2/c17-12-6-9(4-5-13(12)18)8-24-11-3-1-2-10(7-11)14-15(16(19)23)21-22-20-14/h1-7H,8H2,(H2,19,23)(H,20,21,22)
InChIKeyDJJORMQBWHFSEW-UHFFFAOYSA-N
MW346.75 g/mol
LogP2.94
Rot. Bonds5

About 5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide

5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide (PubChem CID 169402462) has the molecular formula C16H12ClFN4O2 and a molecular weight of 346.75 g/mol. Its IUPAC name is 5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
PubChem CID169402462
Molecular FormulaC16H12ClFN4O2
Molecular Weight346.75 g/mol
Exact Mass346.06
IUPAC Name5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1cccc(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H12ClFN4O2/c17-12-6-9(4-5-13(12)18)8-24-11-3-1-2-10(7-11)14-15(16(19)23)21-22-20-14/h1-7H,8H2,(H2,19,23)(H,20,21,22)
InChIKeyDJJORMQBWHFSEW-UHFFFAOYSA-N
XLogP2.94
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403109
5-[3-[(3,4-diethoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402978
5-[3-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402724
5-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403507
ethyl 5-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxylate
CID 169400398
5-[3-(1,3-dioxolan-2-ylmethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402542
5-[4-[(2,3-difluorophenoxy)methyl]phenyl]-2H-triazole-4-carboxamide
CID 169402704
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
5-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403348
5-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxylic acid
CID 83648852
5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
5-[2-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403078

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide (CID 169402462) is 5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1cccc(OCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
The InChIKey is DJJORMQBWHFSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2/c17-12-6-9(4-5-13(12)18)8-24-11-3-1-2-10(7-11)14-15(16(19)23)21-22-20-14/h1-7H,8H2,(H2,19,23)(H,20,21,22).
What are the key properties of 5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide?
5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide has a molecular weight of 346.75 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169402462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).