N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide

C19H14Cl3NO4 — CID 1277633

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(OC)cc1Cl
InChIInChI=1S/C19H14Cl3NO4/c1-25-16-9-13(17(26-2)8-12(16)21)23-19(24)15-7-6-14(27-15)10-4-3-5-11(20)18(10)22/h3-9H,1-2H3,(H,23,24)
InChIKeyKGZGAUWUWFYVNC-UHFFFAOYSA-N
MW426.68 g/mol
LogP6.18
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide (PubChem CID 1277633) has the molecular formula C19H14Cl3NO4 and a molecular weight of 426.68 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
PubChem CID1277633
Molecular FormulaC19H14Cl3NO4
Molecular Weight426.68 g/mol
Exact Mass425.00
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(OC)cc1Cl
InChIInChI=1S/C19H14Cl3NO4/c1-25-16-9-13(17(26-2)8-12(16)21)23-19(24)15-7-6-14(27-15)10-4-3-5-11(20)18(10)22/h3-9H,1-2H3,(H,23,24)
InChIKeyKGZGAUWUWFYVNC-UHFFFAOYSA-N
XLogP6.18
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.68
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1315583
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 8011799
methyl 2-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]amino]benzoate
CID 3641679
5-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)furan-2-carboxamide
CID 110699998
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
N-(2-amino-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 91687558
5-(2,3-dichlorophenyl)-N-(4-methoxy-3-nitrophenyl)furan-2-carboxamide
CID 1422030
N-(2-benzoyl-4-chlorophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 2066709
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide
CID 17117762
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
CID 2914733
N-(4-chloro-2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 8003045

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide (CID 1277633) is N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide?
The InChIKey is KGZGAUWUWFYVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3NO4/c1-25-16-9-13(17(26-2)8-12(16)21)23-19(24)15-7-6-14(27-15)10-4-3-5-11(20)18(10)22/h3-9H,1-2H3,(H,23,24).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide has a molecular weight of 426.68 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 1277633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).