N-ethyl-2,6-difluoro-4-propoxybenzamide

C12H15F2NO2 — CID 149430518

IUPACN-ethyl-2,6-difluoro-4-propoxybenzamide
SMILESCCCOc1cc(F)c(C(=O)NCC)c(F)c1
InChIInChI=1S/C12H15F2NO2/c1-3-5-17-8-6-9(13)11(10(14)7-8)12(16)15-4-2/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyYUYPALCURDVRTB-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-2,6-difluoro-4-propoxybenzamide

N-ethyl-2,6-difluoro-4-propoxybenzamide (PubChem CID 149430518) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-ethyl-2,6-difluoro-4-propoxybenzamide.

Molecular Properties

Compound NameN-ethyl-2,6-difluoro-4-propoxybenzamide
PubChem CID149430518
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC NameN-ethyl-2,6-difluoro-4-propoxybenzamide
SMILESCCCOc1cc(F)c(C(=O)NCC)c(F)c1
InChIInChI=1S/C12H15F2NO2/c1-3-5-17-8-6-9(13)11(10(14)7-8)12(16)15-4-2/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyYUYPALCURDVRTB-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,6-difluoro-4-propoxybenzoyl)oxyphenyl] 2,6-difluoro-4-propoxybenzoate
CID 102521110
methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride
CID 69214837
3-fluoro-5-propoxybenzoic acid
CID 91636267
2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853812
N-ethyl-1-methyl-3-propoxypyrazole-5-carboxamide
CID 176998259
1-(2-fluoro-4-propoxyphenyl)prop-2-en-1-one
CID 19101297
1-ethyl-3-(4-propoxyphenyl)urea
CID 115881886
1-(2-fluoro-5-propoxyphenyl)ethanone
CID 83988784
1-(3-fluoro-5-propoxyphenyl)propan-1-one
CID 91655290
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide
CID 143388228
2,2,2-trifluoro-1-(3-fluoro-5-propoxyphenyl)ethanone
CID 91657905

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-difluoro-4-propoxybenzamide?
The IUPAC name of N-ethyl-2,6-difluoro-4-propoxybenzamide (CID 149430518) is N-ethyl-2,6-difluoro-4-propoxybenzamide.
What is the SMILES notation for N-ethyl-2,6-difluoro-4-propoxybenzamide?
The canonical SMILES for N-ethyl-2,6-difluoro-4-propoxybenzamide is CCCOc1cc(F)c(C(=O)NCC)c(F)c1.
What is the InChIKey of N-ethyl-2,6-difluoro-4-propoxybenzamide?
The InChIKey is YUYPALCURDVRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-3-5-17-8-6-9(13)11(10(14)7-8)12(16)15-4-2/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-2,6-difluoro-4-propoxybenzamide?
N-ethyl-2,6-difluoro-4-propoxybenzamide has a molecular weight of 243.25 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-difluoro-4-propoxybenzamide is sourced from PubChem (CID 149430518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).