4-(difluoromethoxy)-3-methoxy-N-propylbenzamide

C12H15F2NO3 — CID 78768368

IUPAC4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C12H15F2NO3/c1-3-6-15-11(16)8-4-5-9(18-12(13)14)10(7-8)17-2/h4-5,7,12H,3,6H2,1-2H3,(H,15,16)
InChIKeyLAVJIPGPUPGDQT-UHFFFAOYSA-N
MW259.25 g/mol
LogP2.44
Rot. Bonds6

About 4-(difluoromethoxy)-3-methoxy-N-propylbenzamide

4-(difluoromethoxy)-3-methoxy-N-propylbenzamide (PubChem CID 78768368) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-propylbenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
PubChem CID78768368
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C12H15F2NO3/c1-3-6-15-11(16)8-4-5-9(18-12(13)14)10(7-8)17-2/h4-5,7,12H,3,6H2,1-2H3,(H,15,16)
InChIKeyLAVJIPGPUPGDQT-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
[2-oxo-2-(propylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580652
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
4-(difluoromethoxy)-3-methoxy-N-prop-2-ynylbenzamide
CID 18109915
4-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396289
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
4-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]-3-methoxybenzamide
CID 120654617
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
N-(2-benzylsulfanylethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 8749675
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-propylbenzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-propylbenzamide (CID 78768368) is 4-(difluoromethoxy)-3-methoxy-N-propylbenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-propylbenzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-propylbenzamide is CCCNC(=O)c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-propylbenzamide?
The InChIKey is LAVJIPGPUPGDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-3-6-15-11(16)8-4-5-9(18-12(13)14)10(7-8)17-2/h4-5,7,12H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-propylbenzamide?
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide has a molecular weight of 259.25 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-propylbenzamide is sourced from PubChem (CID 78768368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).