3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide

C10H10ClF2NO3 — CID 90749486

IUPAC3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide
SMILESCOC(OC(F)F)c1cc(Cl)cc(C(N)=O)c1
InChIInChI=1S/C10H10ClF2NO3/c1-16-9(17-10(12)13)6-2-5(8(14)15)3-7(11)4-6/h2-4,9-10H,1H3,(H2,14,15)
InChIKeyGCZAPUQGEASGMN-UHFFFAOYSA-N
MW265.64 g/mol
LogP2.32
Rot. Bonds5

About 3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide

3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide (PubChem CID 90749486) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is 3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide
PubChem CID90749486
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Name3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide
SMILESCOC(OC(F)F)c1cc(Cl)cc(C(N)=O)c1
InChIInChI=1S/C10H10ClF2NO3/c1-16-9(17-10(12)13)6-2-5(8(14)15)3-7(11)4-6/h2-4,9-10H,1H3,(H2,14,15)
InChIKeyGCZAPUQGEASGMN-UHFFFAOYSA-N
XLogP2.32
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide?
The IUPAC name of 3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide (CID 90749486) is 3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide.
What is the SMILES notation for 3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide?
The canonical SMILES for 3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide is COC(OC(F)F)c1cc(Cl)cc(C(N)=O)c1.
What is the InChIKey of 3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide?
The InChIKey is GCZAPUQGEASGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3/c1-16-9(17-10(12)13)6-2-5(8(14)15)3-7(11)4-6/h2-4,9-10H,1H3,(H2,14,15).
What are the key properties of 3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide?
3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide has a molecular weight of 265.64 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[difluoromethoxy(methoxy)methyl]benzamide is sourced from PubChem (CID 90749486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).