N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide

C19H22F2N4O2 — CID 126775214

IUPACN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide
SMILESCc1cc(C(=O)NCc2nnc(C3CC3)n2C2CC2)cc(C)c1OC(F)F
InChIInChI=1S/C19H22F2N4O2/c1-10-7-13(8-11(2)16(10)27-19(20)21)18(26)22-9-15-23-24-17(12-3-4-12)25(15)14-5-6-14/h7-8,12,14,19H,3-6,9H2,1-2H3,(H,22,26)
InChIKeyGBOIQWNXRFCOQF-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.64
Rot. Bonds7

About N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide

N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide (PubChem CID 126775214) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide
PubChem CID126775214
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide
SMILESCc1cc(C(=O)NCc2nnc(C3CC3)n2C2CC2)cc(C)c1OC(F)F
InChIInChI=1S/C19H22F2N4O2/c1-10-7-13(8-11(2)16(10)27-19(20)21)18(26)22-9-15-23-24-17(12-3-4-12)25(15)14-5-6-14/h7-8,12,14,19H,3-6,9H2,1-2H3,(H,22,26)
InChIKeyGBOIQWNXRFCOQF-UHFFFAOYSA-N
XLogP3.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide?
The IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide (CID 126775214) is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide.
What is the SMILES notation for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide?
The canonical SMILES for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide is Cc1cc(C(=O)NCc2nnc(C3CC3)n2C2CC2)cc(C)c1OC(F)F.
What is the InChIKey of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide?
The InChIKey is GBOIQWNXRFCOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-10-7-13(8-11(2)16(10)27-19(20)21)18(26)22-9-15-23-24-17(12-3-4-12)25(15)14-5-6-14/h7-8,12,14,19H,3-6,9H2,1-2H3,(H,22,26).
What are the key properties of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide?
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide has a molecular weight of 376.41 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(difluoromethoxy)-3,5-dimethylbenzamide is sourced from PubChem (CID 126775214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).