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

C18H17FN4O — CID 50881407

IUPACN-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
SMILESCCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O/c1-3-13-9-16(23-10-20-21-11-23)8-12(2)17(13)22-18(24)14-4-6-15(19)7-5-14/h4-11H,3H2,1-2H3,(H,22,24)
InChIKeyWDWAAISAQPFMMZ-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.53
Rot. Bonds4

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

N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide (PubChem CID 50881407) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
PubChem CID50881407
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
SMILESCCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O/c1-3-13-9-16(23-10-20-21-11-23)8-12(2)17(13)22-18(24)14-4-6-15(19)7-5-14/h4-11H,3H2,1-2H3,(H,22,24)
InChIKeyWDWAAISAQPFMMZ-UHFFFAOYSA-N
XLogP3.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]-4-methoxybenzamide
CID 50880797
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-phenylbenzamide
CID 50880804
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-2-phenylacetamide
CID 50881359
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide
CID 50880888
N-[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 86666614
2,5-dichloro-N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50880772
N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide
CID 50880400
1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide
CID 75537911
4-acetyl-N-[2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylphenyl]benzamide
CID 86666624
N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652280
N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 112770779

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide (CID 50881407) is N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide is CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide?
The InChIKey is WDWAAISAQPFMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-3-13-9-16(23-10-20-21-11-23)8-12(2)17(13)22-18(24)14-4-6-15(19)7-5-14/h4-11H,3H2,1-2H3,(H,22,24).
What are the key properties of N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide?
N-[2-ethyl-6-methyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide has a molecular weight of 324.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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-fluorobenzamide is sourced from PubChem (CID 50881407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).