1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide

C18H16F2N4O2 — CID 16654306

IUPAC1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccccc2)nnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H16F2N4O2/c1-12-16(17(25)23(2)13-6-4-3-5-7-13)21-22-24(12)14-8-10-15(11-9-14)26-18(19)20/h3-11,18H,1-2H3
InChIKeyMOKVIGKVXKLPFK-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.45
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide

1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide (PubChem CID 16654306) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide
PubChem CID16654306
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccccc2)nnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C18H16F2N4O2/c1-12-16(17(25)23(2)13-6-4-3-5-7-13)21-22-24(12)14-8-10-15(11-9-14)26-18(19)20/h3-11,18H,1-2H3
InChIKeyMOKVIGKVXKLPFK-UHFFFAOYSA-N
XLogP3.45
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide (CID 16654306) is 1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide is Cc1c(C(=O)N(C)c2ccccc2)nnn1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide?
The InChIKey is MOKVIGKVXKLPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-12-16(17(25)23(2)13-6-4-3-5-7-13)21-22-24(12)14-8-10-15(11-9-14)26-18(19)20/h3-11,18H,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide?
1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N,5-dimethyl-N-phenyltriazole-4-carboxamide is sourced from PubChem (CID 16654306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).