ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one

C19H20F2N2O2 — CID 143702156

IUPACethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one
SMILESCC.Cc1ccc(Nc2cc(F)ccc2C(=O)N2CC(=O)C2)c(F)c1
InChIInChI=1S/C17H14F2N2O2.C2H6/c1-10-2-5-15(14(19)6-10)20-16-7-11(18)3-4-13(16)17(23)21-8-12(22)9-21;1-2/h2-7,20H,8-9H2,1H3;1-2H3
InChIKeyRKSGUWSAVLEXOT-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.07
Rot. Bonds3

About ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one

ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one (PubChem CID 143702156) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one.

Molecular Properties

Compound Nameethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one
PubChem CID143702156
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Nameethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one
SMILESCC.Cc1ccc(Nc2cc(F)ccc2C(=O)N2CC(=O)C2)c(F)c1
InChIInChI=1S/C17H14F2N2O2.C2H6/c1-10-2-5-15(14(19)6-10)20-16-7-11(18)3-4-13(16)17(23)21-8-12(22)9-21;1-2/h2-7,20H,8-9H2,1H3;1-2H3
InChIKeyRKSGUWSAVLEXOT-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]-[3-[(dimethylamino)methyl]-3-hydroxyazetidin-1-yl]methanone;ethane
CID 143442411
methyl 4-(2-fluoro-4-methylbenzoyl)piperazine-1-carboxylate
CID 79777957
4-(2-hydrazinyl-5-methylbenzoyl)piperazine-2,6-dione
CID 66062632
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
2-cyclopropyl-4-fluoro-6-(2-fluoro-4-methylanilino)benzamide
CID 176938951
4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412317
ethane;1-[5-(2-fluoro-4-methylanilino)-4-(3-hydroxyazetidine-1-carbonyl)-1-methylpyrrol-2-yl]ethanone
CID 143666994
2-(diethylamino)-N-[1-[3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-yl]acetamide
CID 129230138
[3,4-difluoro-2-(2-fluoro-4-methylanilino)phenyl]-(3-methylazetidin-1-yl)methanone;ethane;N-methylbutan-1-amine
CID 143442212

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one?
The IUPAC name of ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one (CID 143702156) is ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one.
What is the SMILES notation for ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one?
The canonical SMILES for ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one is CC.Cc1ccc(Nc2cc(F)ccc2C(=O)N2CC(=O)C2)c(F)c1.
What is the InChIKey of ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one?
The InChIKey is RKSGUWSAVLEXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2.C2H6/c1-10-2-5-15(14(19)6-10)20-16-7-11(18)3-4-13(16)17(23)21-8-12(22)9-21;1-2/h2-7,20H,8-9H2,1H3;1-2H3.
What are the key properties of ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one?
ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one has a molecular weight of 346.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-fluoro-2-(2-fluoro-4-methylanilino)benzoyl]azetidin-3-one is sourced from PubChem (CID 143702156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).