4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide

C14H18F2N2O2 — CID 63184878

IUPAC4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide
SMILESCCNc1c(F)cc(C(=O)NC2CCOCC2)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-2-17-13-11(15)7-9(8-12(13)16)14(19)18-10-3-5-20-6-4-10/h7-8,10,17H,2-6H2,1H3,(H,18,19)
InChIKeyXQAHQXQGCOHEJR-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.31
Rot. Bonds4

About 4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide

4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide (PubChem CID 63184878) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide
PubChem CID63184878
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide
SMILESCCNc1c(F)cc(C(=O)NC2CCOCC2)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-2-17-13-11(15)7-9(8-12(13)16)14(19)18-10-3-5-20-6-4-10/h7-8,10,17H,2-6H2,1H3,(H,18,19)
InChIKeyXQAHQXQGCOHEJR-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide
CID 63362445
3-fluoro-2-methyl-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65370571
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
2-(ethylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 62170267
N-(2-cyclopentylethyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63185372
3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82729062
2-(ethylamino)-6-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 113379136
N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586
4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide
CID 83025049
4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
CID 63184100
4-ethyl-N-(oxan-4-yl)-3-sulfamoylbenzamide
CID 65386263
4-(ethylamino)-3,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 106028020

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide (CID 63184878) is 4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide is CCNc1c(F)cc(C(=O)NC2CCOCC2)cc1F.
What is the InChIKey of 4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide?
The InChIKey is XQAHQXQGCOHEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-2-17-13-11(15)7-9(8-12(13)16)14(19)18-10-3-5-20-6-4-10/h7-8,10,17H,2-6H2,1H3,(H,18,19).
What are the key properties of 4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide?
4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide has a molecular weight of 284.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 63184878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).