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

C18H14ClNO4 — CID 140681886

IUPACN-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide
SMILESCC1=C(O)C(=O)C(NC(=O)c2ccccc2)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C18H14ClNO4/c1-11-15(21)16(22)18(24-11,13-7-9-14(19)10-8-13)20-17(23)12-5-3-2-4-6-12/h2-10,21H,1H3,(H,20,23)
InChIKeySKSYCAABPXVQGB-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.31
Rot. Bonds3

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

N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide (PubChem CID 140681886) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide
PubChem CID140681886
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC NameN-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide
SMILESCC1=C(O)C(=O)C(NC(=O)c2ccccc2)(c2ccc(Cl)cc2)O1
InChIInChI=1S/C18H14ClNO4/c1-11-15(21)16(22)18(24-11,13-7-9-14(19)10-8-13)20-17(23)12-5-3-2-4-6-12/h2-10,21H,1H3,(H,20,23)
InChIKeySKSYCAABPXVQGB-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
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-(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
N-[5-(5-chloro-2-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834094
N-[5-(2-chloro-4-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834294
[2-Benzamido-5-(4-chloro-3-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834400
[2-Benzamido-5-(4-chloro-2-fluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834403
N-[5-(2-chloro-6-fluorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 140834447
4-[(4-Chlorophenyl)methoxy]-5-phenylpyridine-2,3,6-trione
CID 11067825
N-[5-(4-chlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]benzamide
CID 118262101

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide (CID 140681886) is N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide is CC1=C(O)C(=O)C(NC(=O)c2ccccc2)(c2ccc(Cl)cc2)O1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide?
The InChIKey is SKSYCAABPXVQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-11-15(21)16(22)18(24-11,13-7-9-14(19)10-8-13)20-17(23)12-5-3-2-4-6-12/h2-10,21H,1H3,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide?
N-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-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-[2-(4-chlorophenyl)-4-hydroxy-5-methyl-3-oxofuran-2-yl]benzamide is sourced from PubChem (CID 140681886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).