4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate

C14H19F2NO5 — CID 175553147

IUPAC4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate
SMILESCC(C)Oc1cc(C(N)=O)ccc1OC(F)F.COC(C)=O
InChIInChI=1S/C11H13F2NO3.C3H6O2/c1-6(2)16-9-5-7(10(14)15)3-4-8(9)17-11(12)13;1-3(4)5-2/h3-6,11H,1-2H3,(H2,14,15);1-2H3
InChIKeyHIFMIGUFMWMLIL-UHFFFAOYSA-N
MW319.30 g/mol
LogP2.35
Rot. Bonds5

About 4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate

4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate (PubChem CID 175553147) has the molecular formula C14H19F2NO5 and a molecular weight of 319.30 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate
PubChem CID175553147
Molecular FormulaC14H19F2NO5
Molecular Weight319.30 g/mol
Exact Mass319.12
IUPAC Name4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate
SMILESCC(C)Oc1cc(C(N)=O)ccc1OC(F)F.COC(C)=O
InChIInChI=1S/C11H13F2NO3.C3H6O2/c1-6(2)16-9-5-7(10(14)15)3-4-8(9)17-11(12)13;1-3(4)5-2/h3-6,11H,1-2H3,(H2,14,15);1-2H3
InChIKeyHIFMIGUFMWMLIL-UHFFFAOYSA-N
XLogP2.35
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
3-butoxy-4-(difluoromethoxy)benzamide
CID 90005400
4-butoxy-3-(difluoromethoxy)benzamide
CID 175773492
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
4-phenoxy-3-propan-2-yloxybenzamide
CID 174415325
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
3-[3,4-bis(difluoromethoxy)phenyl]but-2-enoic acid
CID 66604449
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide
CID 55447326
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 7213954
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate?
The IUPAC name of 4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate (CID 175553147) is 4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate.
What is the SMILES notation for 4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate?
The canonical SMILES for 4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate is CC(C)Oc1cc(C(N)=O)ccc1OC(F)F.COC(C)=O.
What is the InChIKey of 4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate?
The InChIKey is HIFMIGUFMWMLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3.C3H6O2/c1-6(2)16-9-5-7(10(14)15)3-4-8(9)17-11(12)13;1-3(4)5-2/h3-6,11H,1-2H3,(H2,14,15);1-2H3.
What are the key properties of 4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate?
4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate has a molecular weight of 319.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate is sourced from PubChem (CID 175553147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).