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

C14H14ClNO4 — CID 737668

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccoc2C)c(OC)cc1Cl
InChIInChI=1S/C14H14ClNO4/c1-8-9(4-5-20-8)14(17)16-11-7-12(18-2)10(15)6-13(11)19-3/h4-7H,1-3H3,(H,16,17)
InChIKeyVFNRFUNOCYBXGK-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.51
Rot. Bonds4

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

N-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide (PubChem CID 737668) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
PubChem CID737668
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccoc2C)c(OC)cc1Cl
InChIInChI=1S/C14H14ClNO4/c1-8-9(4-5-20-8)14(17)16-11-7-12(18-2)10(15)6-13(11)19-3/h4-7H,1-3H3,(H,16,17)
InChIKeyVFNRFUNOCYBXGK-UHFFFAOYSA-N
XLogP3.51
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide (CID 737668) is N-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide is COc1cc(NC(=O)c2ccoc2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide?
The InChIKey is VFNRFUNOCYBXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c1-8-9(4-5-20-8)14(17)16-11-7-12(18-2)10(15)6-13(11)19-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 295.72 g/mol, XLogP of 3.51, 4 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)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 737668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).