2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide

C18H24F2N4O3 — CID 121440222

IUPAC2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
SMILESCCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C18H24F2N4O3/c1-5-23(10-11-24-21-12(2)15(22-24)18(3,4)26)16(25)13-8-6-7-9-14(13)27-17(19)20/h6-9,17,26H,5,10-11H2,1-4H3
InChIKeyNMKMDMUHZANIFP-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.58
Rot. Bonds8

About 2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide

2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide (PubChem CID 121440222) has the molecular formula C18H24F2N4O3 and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
PubChem CID121440222
Molecular FormulaC18H24F2N4O3
Molecular Weight382.41 g/mol
Exact Mass382.18
IUPAC Name2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
SMILESCCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C18H24F2N4O3/c1-5-23(10-11-24-21-12(2)15(22-24)18(3,4)26)16(25)13-8-6-7-9-14(13)27-17(19)20/h6-9,17,26H,5,10-11H2,1-4H3
InChIKeyNMKMDMUHZANIFP-UHFFFAOYSA-N
XLogP2.58
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
CID 121440247
N,3-diethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]-2-(2,2,2-trifluoroethyl)benzamide
CID 162576010
2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 109468392
N-(2-aminoethyl)-N-butyl-2-(difluoromethoxy)benzamide
CID 63754069
N-(2-chloroethyl)-2-ethoxy-N-ethylbenzamide
CID 63395258
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide
CID 134028335
N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082
2-(difluoromethoxy)-N-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)benzamide
CID 72878220
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 19346092
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide (CID 121440222) is 2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide is CCN(CCn1nc(C)c(C(C)(C)O)n1)C(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide?
The InChIKey is NMKMDMUHZANIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O3/c1-5-23(10-11-24-21-12(2)15(22-24)18(3,4)26)16(25)13-8-6-7-9-14(13)27-17(19)20/h6-9,17,26H,5,10-11H2,1-4H3.
What are the key properties of 2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide?
2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide has a molecular weight of 382.41 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 121440222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).