5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide

C23H18ClNO4 — CID 28670293

IUPAC5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C23H18ClNO4/c1-14-5-6-16(20-8-7-18(13-26)28-20)12-19(14)25-23(27)22-10-9-21(29-22)15-3-2-4-17(24)11-15/h2-12,26H,13H2,1H3,(H,25,27)
InChIKeyLJZCGFKSQOZOGY-UHFFFAOYSA-N
MW407.85 g/mol
LogP5.91
Rot. Bonds5

About 5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide

5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 28670293) has the molecular formula C23H18ClNO4 and a molecular weight of 407.85 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
PubChem CID28670293
Molecular FormulaC23H18ClNO4
Molecular Weight407.85 g/mol
Exact Mass407.09
IUPAC Name5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C23H18ClNO4/c1-14-5-6-16(20-8-7-18(13-26)28-20)12-19(14)25-23(27)22-10-9-21(29-22)15-3-2-4-17(24)11-15/h2-12,26H,13H2,1H3,(H,25,27)
InChIKeyLJZCGFKSQOZOGY-UHFFFAOYSA-N
XLogP5.91
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.85
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]furan-2-carboxamide
CID 28670300
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
N-(3-benzamido-4-methylphenyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 1344294
5-(3-chlorophenyl)-N-(2,4-dimethylphenyl)furan-2-carboxamide
CID 880542
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methylbenzamide
CID 28666706
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
2-chloro-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-5-iodobenzamide
CID 28668065
4-chloro-N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]benzamide
CID 28687208
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2,2-dimethylpropanamide
CID 28666072
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]benzamide
CID 28667730
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]benzamide
CID 28686841
2-chloro-N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]carbamothioyl]-5-iodobenzamide
CID 43866285

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide (CID 28670293) is 5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is LJZCGFKSQOZOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO4/c1-14-5-6-16(20-8-7-18(13-26)28-20)12-19(14)25-23(27)22-10-9-21(29-22)15-3-2-4-17(24)11-15/h2-12,26H,13H2,1H3,(H,25,27).
What are the key properties of 5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide?
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 407.85 g/mol, XLogP of 5.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 28670293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).