N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide

C18H17FN4O — CID 166387772

IUPACN-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide
SMILESCCn1nncc1C(=O)N(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O/c1-2-23-17(12-20-21-23)18(24)22(13-14-6-4-3-5-7-14)16-10-8-15(19)9-11-16/h3-12H,2,13H2,1H3
InChIKeyZYTDWXKSFDMCEI-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.28
Rot. Bonds5

About N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide

N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide (PubChem CID 166387772) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide
PubChem CID166387772
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide
SMILESCCn1nncc1C(=O)N(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O/c1-2-23-17(12-20-21-23)18(24)22(13-14-6-4-3-5-7-14)16-10-8-15(19)9-11-16/h3-12H,2,13H2,1H3
InChIKeyZYTDWXKSFDMCEI-UHFFFAOYSA-N
XLogP3.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42789348
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 22830347
1-benzyl-N-(4-fluorophenyl)-N-[[6-(1-phenylpropyl)-3-pyridinyl]methyl]triazole-4-carboxamide
CID 70298887
1-benzyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)triazole-4-carboxamide
CID 25057379
3-ethyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 138995809
N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide
CID 52733507
N-benzyl-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 3169632
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
CID 108867698
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-ethylpyrazole-3-carboxamide
CID 42111295
ethyl 4-amino-2-[2-(N-benzyl-4-fluoroanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 1172846

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide (CID 166387772) is N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide is CCn1nncc1C(=O)N(Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide?
The InChIKey is ZYTDWXKSFDMCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-2-23-17(12-20-21-23)18(24)22(13-14-6-4-3-5-7-14)16-10-8-15(19)9-11-16/h3-12H,2,13H2,1H3.
What are the key properties of N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide?
N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 166387772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).