N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide

C19H18F2N4O2 — CID 42948366

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N4O2/c1-12(14-8-10-16(11-9-14)27-19(20)21)22-18(26)17-13(2)23-25(24-17)15-6-4-3-5-7-15/h3-12,19H,1-2H3,(H,22,26)
InChIKeyXNEXHNDLDMQSAN-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.67
Rot. Bonds6

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 42948366) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID42948366
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N4O2/c1-12(14-8-10-16(11-9-14)27-19(20)21)22-18(26)17-13(2)23-25(24-17)15-6-4-3-5-7-15/h3-12,19H,1-2H3,(H,22,26)
InChIKeyXNEXHNDLDMQSAN-UHFFFAOYSA-N
XLogP3.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)triazole-4-carboxamide
CID 43007778
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenyltriazole-4-carboxamide
CID 46469924
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
5-(hydroxymethyl)-2-(4-methylphenyl)-N-(1-phenylethyl)triazole-4-carboxamide
CID 23608005
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
CID 39991415
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 19514167
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910
2-[[4-(difluoromethoxy)phenyl]methylidene]-N,N'-bis(1-phenylethyl)propanediamide
CID 5001676
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 27261462
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 27883567
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 60566958
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 35243595

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide (CID 42948366) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)NC(C)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is XNEXHNDLDMQSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-12(14-8-10-16(11-9-14)27-19(20)21)22-18(26)17-13(2)23-25(24-17)15-6-4-3-5-7-15/h3-12,19H,1-2H3,(H,22,26).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 42948366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).