N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide

C19H19ClN4O — CID 16649490

IUPACN-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1
InChIInChI=1S/C19H19ClN4O/c1-4-14-8-10-15(11-9-14)24-13(3)18(22-23-24)19(25)21-17-7-5-6-16(20)12(17)2/h5-11H,4H2,1-3H3,(H,21,25)
InChIKeyMSGFTXYQMFPCAS-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.35
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide

N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 16649490) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide
PubChem CID16649490
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1
InChIInChI=1S/C19H19ClN4O/c1-4-14-8-10-15(11-9-14)24-13(3)18(22-23-24)19(25)21-17-7-5-6-16(20)12(17)2/h5-11H,4H2,1-3H3,(H,21,25)
InChIKeyMSGFTXYQMFPCAS-UHFFFAOYSA-N
XLogP4.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide (CID 16649490) is N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide is CCc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is MSGFTXYQMFPCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-4-14-8-10-15(11-9-14)24-13(3)18(22-23-24)19(25)21-17-7-5-6-16(20)12(17)2/h5-11H,4H2,1-3H3,(H,21,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide?
N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(4-ethylphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 16649490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).