N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide

C17H16FN5O2 — CID 71821031

IUPACN-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2n[nH]nc2Nc2ccccc2F)cc1
InChIInChI=1S/C17H16FN5O2/c1-2-25-12-9-7-11(8-10-12)19-17(24)15-16(22-23-21-15)20-14-6-4-3-5-13(14)18/h3-10H,2H2,1H3,(H,19,24)(H2,20,21,22,23)
InChIKeyOQRJDPFFWJEJFN-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.34
Rot. Bonds6

About N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide

N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide (PubChem CID 71821031) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide
PubChem CID71821031
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2n[nH]nc2Nc2ccccc2F)cc1
InChIInChI=1S/C17H16FN5O2/c1-2-25-12-9-7-11(8-10-12)19-17(24)15-16(22-23-21-15)20-14-6-4-3-5-13(14)18/h3-10H,2H2,1H3,(H,19,24)(H2,20,21,22,23)
InChIKeyOQRJDPFFWJEJFN-UHFFFAOYSA-N
XLogP3.34
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
N-(4-ethoxyphenyl)-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336735
6-(4-ethoxyanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128416
1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860109
5-ethoxy-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 146277110
N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112986773
[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 42967528
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
5-(2-fluoroanilino)-N-[(4-propan-2-ylphenyl)methyl]-2H-triazole-4-carboxamide
CID 50929044
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
1-[3-[(4-ethoxyphenyl)carbamoylamino]propyl]-3-(2-fluorophenyl)-1-(4-fluorophenyl)urea
CID 42705745

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide (CID 71821031) is N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide is CCOc1ccc(NC(=O)c2n[nH]nc2Nc2ccccc2F)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide?
The InChIKey is OQRJDPFFWJEJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-2-25-12-9-7-11(8-10-12)19-17(24)15-16(22-23-21-15)20-14-6-4-3-5-13(14)18/h3-10H,2H2,1H3,(H,19,24)(H2,20,21,22,23).
What are the key properties of N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide?
N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-(2-fluoroanilino)-2H-triazole-4-carboxamide is sourced from PubChem (CID 71821031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).