N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide

C13H14F2N2O3 — CID 71980637

IUPACN-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCC#N)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C13H14F2N2O3/c1-20-6-5-17(4-2-3-16)13(19)12-10(15)7-9(14)8-11(12)18/h7-8,18H,2,4-6H2,1H3
InChIKeyPMEPVQGWXWRBCQ-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.67
Rot. Bonds6

About N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide

N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide (PubChem CID 71980637) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
PubChem CID71980637
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC NameN-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CCC#N)C(=O)c1c(O)cc(F)cc1F
InChIInChI=1S/C13H14F2N2O3/c1-20-6-5-17(4-2-3-16)13(19)12-10(15)7-9(14)8-11(12)18/h7-8,18H,2,4-6H2,1H3
InChIKeyPMEPVQGWXWRBCQ-UHFFFAOYSA-N
XLogP1.67
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 63237307
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63286185
4-chloro-N-(2-cyanoethyl)-2,5-difluoro-N-(2-methoxyethyl)benzamide
CID 82772600
3-bromo-N-(2-cyanoethyl)-4-fluoro-N-(2-methoxyethyl)benzamide
CID 71869269
5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 63237207
2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
CID 47465669
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
N-(2-cyanoethyl)-2,4,6-trifluoro-N-methylbenzamide
CID 65098629
N-(2-cyanoethyl)-6-fluoro-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 63978805
N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide
CID 60599171
N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)-4-nitrobenzamide
CID 103725271
N-(2-cyanoethyl)-7-fluoro-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 71980215

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide (CID 71980637) is N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide is COCCN(CCC#N)C(=O)c1c(O)cc(F)cc1F.
What is the InChIKey of N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide?
The InChIKey is PMEPVQGWXWRBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c1-20-6-5-17(4-2-3-16)13(19)12-10(15)7-9(14)8-11(12)18/h7-8,18H,2,4-6H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide?
N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide has a molecular weight of 284.26 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 71980637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).