1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide

C19H18F2N4O — CID 53333407

IUPAC1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide
SMILESCc1c(F)cccc1-n1nnc(C(=O)NC(C)c2ccc(F)cc2)c1C
InChIInChI=1S/C19H18F2N4O/c1-11-16(21)5-4-6-17(11)25-13(3)18(23-24-25)19(26)22-12(2)14-7-9-15(20)10-8-14/h4-10,12H,1-3H3,(H,22,26)
InChIKeyHFKKSJRCKAYIMM-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.65
Rot. Bonds4

About 1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide

1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide (PubChem CID 53333407) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide
PubChem CID53333407
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide
SMILESCc1c(F)cccc1-n1nnc(C(=O)NC(C)c2ccc(F)cc2)c1C
InChIInChI=1S/C19H18F2N4O/c1-11-16(21)5-4-6-17(11)25-13(3)18(23-24-25)19(26)22-12(2)14-7-9-15(20)10-8-14/h4-10,12H,1-3H3,(H,22,26)
InChIKeyHFKKSJRCKAYIMM-UHFFFAOYSA-N
XLogP3.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-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-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 27261462
1-(4-fluorophenyl)-5-methyl-N-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 27245858
1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 53333415
1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide
CID 51950141
[1-(3-fluoro-2-methylphenyl)-5-methyltriazol-4-yl]-piperidin-1-ylmethanone
CID 53333518
1-(3,4-dimethylphenyl)-5-methyl-N-(1-phenylethyl)triazole-4-carboxamide
CID 46858342
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590
4-[1-[[1-[2-(4-fluorophenoxy)ethyl]-5-methyltriazole-4-carbonyl]amino]ethyl]benzoic acid
CID 175198415
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55783339
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 95091546

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide (CID 53333407) is 1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide is Cc1c(F)cccc1-n1nnc(C(=O)NC(C)c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide?
The InChIKey is HFKKSJRCKAYIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-11-16(21)5-4-6-17(11)25-13(3)18(23-24-25)19(26)22-12(2)14-7-9-15(20)10-8-14/h4-10,12H,1-3H3,(H,22,26).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide?
1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-N-[1-(4-fluorophenyl)ethyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 53333407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).