N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide

C18H13ClFNO4 — CID 140833563

IUPACN-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
SMILESCC1(c2ccc(Cl)cc2F)OC(NC(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C18H13ClFNO4/c1-18(12-8-7-11(19)9-13(12)20)15(23)14(22)17(25-18)21-16(24)10-5-3-2-4-6-10/h2-9,22H,1H3,(H,21,24)
InChIKeyLXPWTAOUTKCFNQ-UHFFFAOYSA-N
MW361.76 g/mol
LogP3.45
Rot. Bonds3

About N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide

N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide (PubChem CID 140833563) has the molecular formula C18H13ClFNO4 and a molecular weight of 361.76 g/mol. Its IUPAC name is N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
PubChem CID140833563
Molecular FormulaC18H13ClFNO4
Molecular Weight361.76 g/mol
Exact Mass361.05
IUPAC NameN-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
SMILESCC1(c2ccc(Cl)cc2F)OC(NC(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C18H13ClFNO4/c1-18(12-8-7-11(19)9-13(12)20)15(23)14(22)17(25-18)21-16(24)10-5-3-2-4-6-10/h2-9,22H,1H3,(H,21,24)
InChIKeyLXPWTAOUTKCFNQ-UHFFFAOYSA-N
XLogP3.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-2-(4-chloro-3-fluorophenyl)-4-hydroxy-2-methylfuran-3-one
CID 132139340
5-Amino-2-(4-chloro-2-fluorophenyl)-4-hydroxy-2-methylfuran-3-one
CID 132139427
[2-Benzamido-5-(3-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833571
N-[5-(2,5-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833573
N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833585
N-[5-(2-chloro-5-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140833588
N-[5-(3-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833620
N-[5-(2,4-difluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833637
ethyl N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]carbamate
CID 140833684
[2-Benzamido-5-(2,4-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833692
[2-Benzamido-5-(2,6-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833712
N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140833715

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The IUPAC name of N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide (CID 140833563) is N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide.
What is the SMILES notation for N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The canonical SMILES for N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide is CC1(c2ccc(Cl)cc2F)OC(NC(=O)c2ccccc2)=C(O)C1=O.
What is the InChIKey of N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The InChIKey is LXPWTAOUTKCFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO4/c1-18(12-8-7-11(19)9-13(12)20)15(23)14(22)17(25-18)21-16(24)10-5-3-2-4-6-10/h2-9,22H,1H3,(H,21,24).
What are the key properties of N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide has a molecular weight of 361.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide is sourced from PubChem (CID 140833563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).