3-butoxy-4-(difluoromethoxy)benzamide

C12H15F2NO3 — CID 90005400

IUPAC3-butoxy-4-(difluoromethoxy)benzamide
SMILESCCCCOc1cc(C(N)=O)ccc1OC(F)F
InChIInChI=1S/C12H15F2NO3/c1-2-3-6-17-10-7-8(11(15)16)4-5-9(10)18-12(13)14/h4-5,7,12H,2-3,6H2,1H3,(H2,15,16)
InChIKeyJPVOEIQGGUEGLR-UHFFFAOYSA-N
MW259.25 g/mol
LogP2.57
Rot. Bonds7

About 3-butoxy-4-(difluoromethoxy)benzamide

3-butoxy-4-(difluoromethoxy)benzamide (PubChem CID 90005400) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 3-butoxy-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound Name3-butoxy-4-(difluoromethoxy)benzamide
PubChem CID90005400
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name3-butoxy-4-(difluoromethoxy)benzamide
SMILESCCCCOc1cc(C(N)=O)ccc1OC(F)F
InChIInChI=1S/C12H15F2NO3/c1-2-3-6-17-10-7-8(11(15)16)4-5-9(10)18-12(13)14/h4-5,7,12H,2-3,6H2,1H3,(H2,15,16)
InChIKeyJPVOEIQGGUEGLR-UHFFFAOYSA-N
XLogP2.57
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-3-(difluoromethoxy)benzamide
CID 175773492
4-butoxy-3-methoxybenzamide
CID 47102628
3-amino-4-butoxybenzamide
CID 43448596
4-methoxy-3-pentoxybenzamide
CID 82041442
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-octoxybenzamide
CID 43448577
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate
CID 175553147
3-chloro-4-dodecoxybenzamide
CID 172740881
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668
1-(3-butoxy-4-methoxyphenyl)ethanone
CID 21189688

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-(difluoromethoxy)benzamide?
The IUPAC name of 3-butoxy-4-(difluoromethoxy)benzamide (CID 90005400) is 3-butoxy-4-(difluoromethoxy)benzamide.
What is the SMILES notation for 3-butoxy-4-(difluoromethoxy)benzamide?
The canonical SMILES for 3-butoxy-4-(difluoromethoxy)benzamide is CCCCOc1cc(C(N)=O)ccc1OC(F)F.
What is the InChIKey of 3-butoxy-4-(difluoromethoxy)benzamide?
The InChIKey is JPVOEIQGGUEGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-2-3-6-17-10-7-8(11(15)16)4-5-9(10)18-12(13)14/h4-5,7,12H,2-3,6H2,1H3,(H2,15,16).
What are the key properties of 3-butoxy-4-(difluoromethoxy)benzamide?
3-butoxy-4-(difluoromethoxy)benzamide has a molecular weight of 259.25 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 90005400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).