N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide

C18H15F3N4O — CID 53333384

IUPACN-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(F)cc1-n1nnc(C(=O)NCc2ccc(F)cc2F)c1C
InChIInChI=1S/C18H15F3N4O/c1-10-3-5-14(20)8-16(10)25-11(2)17(23-24-25)18(26)22-9-12-4-6-13(19)7-15(12)21/h3-8H,9H2,1-2H3,(H,22,26)
InChIKeyYJVNYNPGVJYUCK-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.23
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 53333384) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID53333384
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
SMILESCc1ccc(F)cc1-n1nnc(C(=O)NCc2ccc(F)cc2F)c1C
InChIInChI=1S/C18H15F3N4O/c1-10-3-5-14(20)8-16(10)25-11(2)17(23-24-25)18(26)22-9-12-4-6-13(19)7-15(12)21/h3-8H,9H2,1-2H3,(H,22,26)
InChIKeyYJVNYNPGVJYUCK-UHFFFAOYSA-N
XLogP3.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-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

N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 7184924
N-[(2,4-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 53332635
1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46857970
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
1-(4-fluorophenyl)-5-methyl-N-(2-methylsulfanylethyl)triazole-4-carboxamide
CID 86928675
1-(5-chloro-2-methylphenyl)-N-cyclopentyl-5-methyltriazole-4-carboxamide
CID 44782567
N-[(2,4-difluorophenyl)methyl]-1-(3-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123691
N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170857
1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 53123619
1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 71998737
4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81239765
1-(3-fluoro-4-methylphenyl)-N-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246369

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide (CID 53333384) is N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide is Cc1ccc(F)cc1-n1nnc(C(=O)NCc2ccc(F)cc2F)c1C.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is YJVNYNPGVJYUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-10-3-5-14(20)8-16(10)25-11(2)17(23-24-25)18(26)22-9-12-4-6-13(19)7-15(12)21/h3-8H,9H2,1-2H3,(H,22,26).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 53333384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).