2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide

C13H10Cl2F3N3O3 — CID 21254039

IUPAC2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide
SMILESCONC(=O)c1cc(-c2nn(C)c(OC(F)F)c2F)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2F3N3O3/c1-21-12(24-13(17)18)9(16)10(19-21)5-3-6(11(22)20-23-2)8(15)4-7(5)14/h3-4,13H,1-2H3,(H,20,22)
InChIKeyRQOGHGSTVPLYNJ-UHFFFAOYSA-N
MW384.14 g/mol
LogP3.43
Rot. Bonds5

About 2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide

2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide (PubChem CID 21254039) has the molecular formula C13H10Cl2F3N3O3 and a molecular weight of 384.14 g/mol. Its IUPAC name is 2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide.

Molecular Properties

Compound Name2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide
PubChem CID21254039
Molecular FormulaC13H10Cl2F3N3O3
Molecular Weight384.14 g/mol
Exact Mass383.01
IUPAC Name2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide
SMILESCONC(=O)c1cc(-c2nn(C)c(OC(F)F)c2F)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2F3N3O3/c1-21-12(24-13(17)18)9(16)10(19-21)5-3-6(11(22)20-23-2)8(15)4-7(5)14/h3-4,13H,1-2H3,(H,20,22)
InChIKeyRQOGHGSTVPLYNJ-UHFFFAOYSA-N
XLogP3.43
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.14
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzoyl chloride
CID 15346389
5-[4-bromo-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2,4-dichloroaniline
CID 11257693
2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]ethanethioic S-acid
CID 151453287
propan-2-yl 5-[4-bromo-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-chloro-4-fluorobenzoate
CID 139886173
2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde
CID 15672172
2-chloro-3-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]prop-2-enoate
CID 152757147
1-N-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]propane-1,2-diamine;propanoic acid
CID 173313258
2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-N-(methylsulfamoyl)aniline
CID 15672100
3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol
CID 137317051
ethyl 2-cyano-3-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]prop-2-enoate
CID 57065413
3-(difluoromethyl)-N-methoxy-1-methylpyrazole-4-carboxamide
CID 88925294
(E)-4-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]-3-methoxybut-2-enoic acid
CID 68933465

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide?
The IUPAC name of 2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide (CID 21254039) is 2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide.
What is the SMILES notation for 2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide?
The canonical SMILES for 2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide is CONC(=O)c1cc(-c2nn(C)c(OC(F)F)c2F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide?
The InChIKey is RQOGHGSTVPLYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O3/c1-21-12(24-13(17)18)9(16)10(19-21)5-3-6(11(22)20-23-2)8(15)4-7(5)14/h3-4,13H,1-2H3,(H,20,22).
What are the key properties of 2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide?
2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide has a molecular weight of 384.14 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[5-(difluoromethoxy)-4-fluoro-1-methylpyrazol-3-yl]-N-methoxybenzamide is sourced from PubChem (CID 21254039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).