N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide

C18H16FN5O2 — CID 119041119

IUPACN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3cc(C(N)=O)cc(F)c3C)nn2)cc1
InChIInChI=1S/C18H16FN5O2/c1-10-3-5-13(6-4-10)24-9-16(22-23-24)18(26)21-15-8-12(17(20)25)7-14(19)11(15)2/h3-9H,1-2H3,(H2,20,25)(H,21,26)
InChIKeyDWKSGNMJUMFJKP-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.37
Rot. Bonds4

About N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide

N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide (PubChem CID 119041119) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
PubChem CID119041119
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)Nc3cc(C(N)=O)cc(F)c3C)nn2)cc1
InChIInChI=1S/C18H16FN5O2/c1-10-3-5-13(6-4-10)24-9-16(22-23-24)18(26)21-15-8-12(17(20)25)7-14(19)11(15)2/h3-9H,1-2H3,(H2,20,25)(H,21,26)
InChIKeyDWKSGNMJUMFJKP-UHFFFAOYSA-N
XLogP2.37
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38955384
N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38953471
N-(2,5-dimethylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38951839
N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 136929474
methyl 4-chloro-3-[[1-(4-methylphenyl)triazole-4-carbonyl]amino]benzoate
CID 99587320
1-(4-methylphenyl)triazole-4-carbonyl chloride
CID 71320958
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 63047676
N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 81227752
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55732927
3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 86992287

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide (CID 119041119) is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)Nc3cc(C(N)=O)cc(F)c3C)nn2)cc1.
What is the InChIKey of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
The InChIKey is DWKSGNMJUMFJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-10-3-5-13(6-4-10)24-9-16(22-23-24)18(26)21-15-8-12(17(20)25)7-14(19)11(15)2/h3-9H,1-2H3,(H2,20,25)(H,21,26).
What are the key properties of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide?
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 119041119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).