N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide

C22H14Cl3NO4 — CID 28669941

IUPACN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C22H14Cl3NO4/c23-15-4-1-12(9-17(15)25)20-7-8-21(30-20)22(28)26-18-10-13(2-5-16(18)24)19-6-3-14(11-27)29-19/h1-10,27H,11H2,(H,26,28)
InChIKeyZMZDKTRCXUUJGV-UHFFFAOYSA-N
MW462.72 g/mol
LogP6.91
Rot. Bonds5

About N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 28669941) has the molecular formula C22H14Cl3NO4 and a molecular weight of 462.72 g/mol. Its IUPAC name is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
PubChem CID28669941
Molecular FormulaC22H14Cl3NO4
Molecular Weight462.72 g/mol
Exact Mass461.00
IUPAC NameN-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C22H14Cl3NO4/c23-15-4-1-12(9-17(15)25)20-7-8-21(30-20)22(28)26-18-10-13(2-5-16(18)24)19-6-3-14(11-27)29-19/h1-10,27H,11H2,(H,26,28)
InChIKeyZMZDKTRCXUUJGV-UHFFFAOYSA-N
XLogP6.91
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.72
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-2-(4-chlorophenyl)acetamide
CID 28666384
3,4-dichloro-N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]benzamide
CID 28687341
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-4-phenylbenzamide
CID 28668422
2,4-dichloro-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28668130
N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 23819573
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]furan-2-carboxamide
CID 28670293
5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-fluorobenzamide
CID 28667544
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide
CID 28665680
N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 28687406
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]furan-2-carboxamide
CID 28670300
N-[[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]furan-2-carboxamide
CID 28687599

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide (CID 28669941) is N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide is O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is ZMZDKTRCXUUJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3NO4/c23-15-4-1-12(9-17(15)25)20-7-8-21(30-20)22(28)26-18-10-13(2-5-16(18)24)19-6-3-14(11-27)29-19/h1-10,27H,11H2,(H,26,28).
What are the key properties of N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide?
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 462.72 g/mol, XLogP of 6.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 28669941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).