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

C19H15ClFNO4 — CID 8011799

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(-c3ccccc3F)o2)cc1Cl
InChIInChI=1S/C19H15ClFNO4/c1-24-17-10-18(25-2)14(9-12(17)20)22-19(23)16-8-7-15(26-16)11-5-3-4-6-13(11)21/h3-10H,1-2H3,(H,22,23)
InChIKeyHRRHDMIJRJZDOQ-UHFFFAOYSA-N
MW375.78 g/mol
LogP5.01
Rot. Bonds5

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

N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 8011799) has the molecular formula C19H15ClFNO4 and a molecular weight of 375.78 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID8011799
Molecular FormulaC19H15ClFNO4
Molecular Weight375.78 g/mol
Exact Mass375.07
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(-c3ccccc3F)o2)cc1Cl
InChIInChI=1S/C19H15ClFNO4/c1-24-17-10-18(25-2)14(9-12(17)20)22-19(23)16-8-7-15(26-16)11-5-3-4-6-13(11)21/h3-10H,1-2H3,(H,22,23)
InChIKeyHRRHDMIJRJZDOQ-UHFFFAOYSA-N
XLogP5.01
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.78
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide (CID 8011799) is N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide is COc1cc(OC)c(NC(=O)c2ccc(-c3ccccc3F)o2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is HRRHDMIJRJZDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO4/c1-24-17-10-18(25-2)14(9-12(17)20)22-19(23)16-8-7-15(26-16)11-5-3-4-6-13(11)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 375.78 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 8011799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).