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

C22H14Cl3NO4 — CID 28669866

IUPACN-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C22H14Cl3NO4/c23-12-1-4-15(17(24)9-12)20-7-8-21(30-20)22(28)26-13-2-5-16(18(25)10-13)19-6-3-14(11-27)29-19/h1-10,27H,11H2,(H,26,28)
InChIKeyHCMVZVZEUWFAGC-UHFFFAOYSA-N
MW462.72 g/mol
LogP6.91
Rot. Bonds5

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

N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 28669866) has the molecular formula C22H14Cl3NO4 and a molecular weight of 462.72 g/mol. Its IUPAC name is N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
PubChem CID28669866
Molecular FormulaC22H14Cl3NO4
Molecular Weight462.72 g/mol
Exact Mass461.00
IUPAC NameN-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C22H14Cl3NO4/c23-12-1-4-15(17(24)9-12)20-7-8-21(30-20)22(28)26-13-2-5-16(18(25)10-13)19-6-3-14(11-27)29-19/h1-10,27H,11H2,(H,26,28)
InChIKeyHCMVZVZEUWFAGC-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-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,5-dichlorophenyl)furan-2-carboxamide
CID 28670148
4-chloro-N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28667689
5-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 9092313
N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
5-(3-chloro-4-fluorophenyl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]furan-2-carboxamide
CID 28670575
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17272468
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
CID 71861123
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-iodobenzamide
CID 28667348
5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
CID 5262514
3-chloro-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]benzamide
CID 28667496
N-(3-benzamidophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1007757

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide (CID 28669866) is N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is HCMVZVZEUWFAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl3NO4/c23-12-1-4-15(17(24)9-12)20-7-8-21(30-20)22(28)26-13-2-5-16(18(25)10-13)19-6-3-14(11-27)29-19/h1-10,27H,11H2,(H,26,28).
What are the key properties of N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide?
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-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-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 28669866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).