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

C18H14ClNO4 — CID 118262101

IUPACN-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
SMILESCC1(c2ccc(Cl)cc2)OC(NC(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C18H14ClNO4/c1-18(12-7-9-13(19)10-8-12)15(22)14(21)17(24-18)20-16(23)11-5-3-2-4-6-11/h2-10,21H,1H3,(H,20,23)
InChIKeyTUPPNBMWGRAXGU-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.31
Rot. Bonds3

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

N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide (PubChem CID 118262101) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
PubChem CID118262101
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC NameN-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
SMILESCC1(c2ccc(Cl)cc2)OC(NC(=O)c2ccccc2)=C(O)C1=O
InChIInChI=1S/C18H14ClNO4/c1-18(12-7-9-13(19)10-8-12)15(22)14(21)17(24-18)20-16(23)11-5-3-2-4-6-11/h2-10,21H,1H3,(H,20,23)
InChIKeyTUPPNBMWGRAXGU-UHFFFAOYSA-N
XLogP3.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833563
[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-(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
N-[5-(4-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140833715
N-[5-(4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833822
[2-Benzamido-5-(2-chloro-4-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140833832
N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]acetamide
CID 140833855
N-[5-(4-chloro-3-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833981
N-[5-(3-chloro-4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140833991

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide (CID 118262101) is N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide is CC1(c2ccc(Cl)cc2)OC(NC(=O)c2ccccc2)=C(O)C1=O.
What is the InChIKey of N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
The InChIKey is TUPPNBMWGRAXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-18(12-7-9-13(19)10-8-12)15(22)14(21)17(24-18)20-16(23)11-5-3-2-4-6-11/h2-10,21H,1H3,(H,20,23).
What are the key properties of N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide?
N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide has a molecular weight of 343.77 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide is sourced from PubChem (CID 118262101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).