5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide

C19H20FN5O — CID 50928987

IUPAC5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
SMILESCCc1ccc(Nc2n[nH]nc2C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FN5O/c1-3-13-4-10-16(11-5-13)22-18-17(23-25-24-18)19(26)21-12(2)14-6-8-15(20)9-7-14/h4-12H,3H2,1-2H3,(H,21,26)(H2,22,23,24,25)
InChIKeyYCDCZXAZONLRGS-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.74
Rot. Bonds6

About 5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide

5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 50928987) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
PubChem CID50928987
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
SMILESCCc1ccc(Nc2n[nH]nc2C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FN5O/c1-3-13-4-10-16(11-5-13)22-18-17(23-25-24-18)19(26)21-12(2)14-6-8-15(20)9-7-14/h4-12H,3H2,1-2H3,(H,21,26)(H2,22,23,24,25)
InChIKeyYCDCZXAZONLRGS-UHFFFAOYSA-N
XLogP3.74
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide
CID 50928986
5-(2-fluoroanilino)-N-[(1R)-1-phenylethyl]-2H-triazole-4-carboxamide
CID 95183687
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
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1-[1-(4-ethylphenyl)ethyl]-3-[(4-fluorobenzoyl)amino]urea
CID 86916186
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
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N-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46654046
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820248
N-[1-[1-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 75130560
2-[4-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719328
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide (CID 50928987) is 5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide is CCc1ccc(Nc2n[nH]nc2C(=O)NC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is YCDCZXAZONLRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-3-13-4-10-16(11-5-13)22-18-17(23-25-24-18)19(26)21-12(2)14-6-8-15(20)9-7-14/h4-12H,3H2,1-2H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of 5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide?
5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 50928987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).