N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide

C19H20N4O2 — CID 50880797

IUPACN-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide
SMILESCCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H20N4O2/c1-4-14-10-16(23-11-20-21-12-23)9-13(2)18(14)22-19(24)15-5-7-17(25-3)8-6-15/h5-12H,4H2,1-3H3,(H,22,24)
InChIKeySQTSKPQNZILLFJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.40
Rot. Bonds5

About N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide

N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide (PubChem CID 50880797) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide
PubChem CID50880797
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide
SMILESCCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H20N4O2/c1-4-14-10-16(23-11-20-21-12-23)9-13(2)18(14)22-19(24)15-5-7-17(25-3)8-6-15/h5-12H,4H2,1-3H3,(H,22,24)
InChIKeySQTSKPQNZILLFJ-UHFFFAOYSA-N
XLogP3.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881407
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide
CID 50880804
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881395
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide
CID 50881359
4-ethyl-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17018365
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide
CID 50880888
4-methoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 814682
N-(2-amino-4-bromo-6-methylphenyl)-4-methoxybenzamide
CID 43550066
N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
CID 100801729
N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide
CID 175345208
3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
CID 22434337
N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide
CID 50880400

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide (CID 50880797) is N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide is CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide?
The InChIKey is SQTSKPQNZILLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-14-10-16(23-11-20-21-12-23)9-13(2)18(14)22-19(24)15-5-7-17(25-3)8-6-15/h5-12H,4H2,1-3H3,(H,22,24).
What are the key properties of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide?
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide has a molecular weight of 336.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 50880797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).