2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

C19H17F2N3O2 — CID 31002817

IUPAC2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C19H17F2N3O2/c20-19(21)26-17-5-2-1-4-16(17)18(25)22-12-10-14-6-8-15(9-7-14)24-13-3-11-23-24/h1-9,11,13,19H,10,12H2,(H,22,25)
InChIKeyNSGSHJBMBZMPDV-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.45
Rot. Bonds7

About 2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 31002817) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID31002817
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C19H17F2N3O2/c20-19(21)26-17-5-2-1-4-16(17)18(25)22-12-10-14-6-8-15(9-7-14)24-13-3-11-23-24/h1-9,11,13,19H,10,12H2,(H,22,25)
InChIKeyNSGSHJBMBZMPDV-UHFFFAOYSA-N
XLogP3.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873
5-fluoro-2-methoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 31122834
2-(difluoromethoxy)-N-(2-pyridin-3-ylethyl)benzamide
CID 39561684
2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412698
4-bromo-2-fluoro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081859
4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081852
2-(difluoromethoxy)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 39709098
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 46434761
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 55966169
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (CID 31002817) is 2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is O=C(NCCc1ccc(-n2cccn2)cc1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is NSGSHJBMBZMPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-19(21)26-17-5-2-1-4-16(17)18(25)22-12-10-14-6-8-15(9-7-14)24-13-3-11-23-24/h1-9,11,13,19H,10,12H2,(H,22,25).
What are the key properties of 2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 357.36 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 31002817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).