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

C13H12ClNO4 — CID 836314

IUPACN-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C13H12ClNO4/c1-17-11-7-12(18-2)9(6-8(11)14)15-13(16)10-4-3-5-19-10/h3-7H,1-2H3,(H,15,16)
InChIKeyURCRNTCMMJOXMF-UHFFFAOYSA-N
MW281.69 g/mol
LogP3.20
Rot. Bonds4

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

N-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide (PubChem CID 836314) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide
PubChem CID836314
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C13H12ClNO4/c1-17-11-7-12(18-2)9(6-8(11)14)15-13(16)10-4-3-5-19-10/h3-7H,1-2H3,(H,15,16)
InChIKeyURCRNTCMMJOXMF-UHFFFAOYSA-N
XLogP3.20
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 53.20
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)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide (CID 836314) is N-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide is COc1cc(OC)c(NC(=O)c2ccco2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide?
The InChIKey is URCRNTCMMJOXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-17-11-7-12(18-2)9(6-8(11)14)15-13(16)10-4-3-5-19-10/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)furan-2-carboxamide has a molecular weight of 281.69 g/mol, XLogP of 3.20, 4 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)furan-2-carboxamide is sourced from PubChem (CID 836314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).