4-butoxy-3-(difluoromethoxy)benzamide

C12H15F2NO3 — CID 175773492

IUPAC4-butoxy-3-(difluoromethoxy)benzamide
SMILESCCCCOc1ccc(C(N)=O)cc1OC(F)F
InChIInChI=1S/C12H15F2NO3/c1-2-3-6-17-9-5-4-8(11(15)16)7-10(9)18-12(13)14/h4-5,7,12H,2-3,6H2,1H3,(H2,15,16)
InChIKeyJUIYSJHFCPEIBJ-UHFFFAOYSA-N
MW259.25 g/mol
LogP2.57
Rot. Bonds7

About 4-butoxy-3-(difluoromethoxy)benzamide

4-butoxy-3-(difluoromethoxy)benzamide (PubChem CID 175773492) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 4-butoxy-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound Name4-butoxy-3-(difluoromethoxy)benzamide
PubChem CID175773492
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name4-butoxy-3-(difluoromethoxy)benzamide
SMILESCCCCOc1ccc(C(N)=O)cc1OC(F)F
InChIInChI=1S/C12H15F2NO3/c1-2-3-6-17-9-5-4-8(11(15)16)7-10(9)18-12(13)14/h4-5,7,12H,2-3,6H2,1H3,(H2,15,16)
InChIKeyJUIYSJHFCPEIBJ-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

3-butoxy-4-(difluoromethoxy)benzamide
CID 90005400
4-butoxy-3-methoxybenzamide
CID 47102628
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
3-amino-4-butoxybenzamide
CID 43448596
4-methoxy-3-pentoxybenzamide
CID 82041442
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
N-(1-aminohexan-2-yl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119666149
3-chloro-4-dodecoxybenzamide
CID 172740881
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-(difluoromethoxy)benzamide?
The IUPAC name of 4-butoxy-3-(difluoromethoxy)benzamide (CID 175773492) is 4-butoxy-3-(difluoromethoxy)benzamide.
What is the SMILES notation for 4-butoxy-3-(difluoromethoxy)benzamide?
The canonical SMILES for 4-butoxy-3-(difluoromethoxy)benzamide is CCCCOc1ccc(C(N)=O)cc1OC(F)F.
What is the InChIKey of 4-butoxy-3-(difluoromethoxy)benzamide?
The InChIKey is JUIYSJHFCPEIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-2-3-6-17-9-5-4-8(11(15)16)7-10(9)18-12(13)14/h4-5,7,12H,2-3,6H2,1H3,(H2,15,16).
What are the key properties of 4-butoxy-3-(difluoromethoxy)benzamide?
4-butoxy-3-(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 4-butoxy-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 175773492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).