1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide

C15H19ClFN5O — CID 71873266

IUPAC1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide
SMILESCCN(C)CCNC(=O)c1nnn(-c2ccc(Cl)cc2F)c1C
InChIInChI=1S/C15H19ClFN5O/c1-4-21(3)8-7-18-15(23)14-10(2)22(20-19-14)13-6-5-11(16)9-12(13)17/h5-6,9H,4,7-8H2,1-3H3,(H,18,23)
InChIKeyUFFCWRQQIVZFBV-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.05
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide

1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide (PubChem CID 71873266) has the molecular formula C15H19ClFN5O and a molecular weight of 339.80 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide
PubChem CID71873266
Molecular FormulaC15H19ClFN5O
Molecular Weight339.80 g/mol
Exact Mass339.13
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide
SMILESCCN(C)CCNC(=O)c1nnn(-c2ccc(Cl)cc2F)c1C
InChIInChI=1S/C15H19ClFN5O/c1-4-21(3)8-7-18-15(23)14-10(2)22(20-19-14)13-6-5-11(16)9-12(13)17/h5-6,9H,4,7-8H2,1-3H3,(H,18,23)
InChIKeyUFFCWRQQIVZFBV-UHFFFAOYSA-N
XLogP2.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide (CID 71873266) is 1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide is CCN(C)CCNC(=O)c1nnn(-c2ccc(Cl)cc2F)c1C.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide?
The InChIKey is UFFCWRQQIVZFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN5O/c1-4-21(3)8-7-18-15(23)14-10(2)22(20-19-14)13-6-5-11(16)9-12(13)17/h5-6,9H,4,7-8H2,1-3H3,(H,18,23).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide?
1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide has a molecular weight of 339.80 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 71873266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).