1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide

C18H15ClFN5O2 — CID 99696829

IUPAC1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3F)c2C)c1
InChIInChI=1S/C18H15ClFN5O2/c1-10-16(23-24-25(10)15-7-6-12(19)9-14(15)20)18(27)22-13-5-3-4-11(8-13)17(26)21-2/h3-9H,1-2H3,(H,21,26)(H,22,27)
InChIKeySWOAOTRVURMPHO-UHFFFAOYSA-N
MW387.80 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide

1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide (PubChem CID 99696829) has the molecular formula C18H15ClFN5O2 and a molecular weight of 387.80 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
PubChem CID99696829
Molecular FormulaC18H15ClFN5O2
Molecular Weight387.80 g/mol
Exact Mass387.09
IUPAC Name1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3F)c2C)c1
InChIInChI=1S/C18H15ClFN5O2/c1-10-16(23-24-25(10)15-7-6-12(19)9-14(15)20)18(27)22-13-5-3-4-11(8-13)17(26)21-2/h3-9H,1-2H3,(H,21,26)(H,22,27)
InChIKeySWOAOTRVURMPHO-UHFFFAOYSA-N
XLogP2.98
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]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

N-(3-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 22516202
1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 58191737
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590
1-(2-fluoro-4-methylphenyl)-N-[3-(methoxymethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 171132681
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
ethyl 3-[[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16648450
1-(4-chloro-2-fluorophenyl)-5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]triazole-4-carboxamide
CID 71999476
1-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55881177
1-(4-chloro-2-fluorophenyl)-N-[4-(dimethylamino)pyrimidin-5-yl]-5-methyltriazole-4-carboxamide
CID 99695383
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]benzoate
CID 15944111
3-[[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51243989

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide (CID 99696829) is 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide is CNC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(Cl)cc3F)c2C)c1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide?
The InChIKey is SWOAOTRVURMPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5O2/c1-10-16(23-24-25(10)15-7-6-12(19)9-14(15)20)18(27)22-13-5-3-4-11(8-13)17(26)21-2/h3-9H,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide?
1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide has a molecular weight of 387.80 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-5-methyl-N-[3-(methylcarbamoyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 99696829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).