N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide

C13H12ClNO3 — CID 1071662

IUPACN-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccoc2C)cc1Cl
InChIInChI=1S/C13H12ClNO3/c1-8-10(5-6-18-8)13(16)15-9-3-4-12(17-2)11(14)7-9/h3-7H,1-2H3,(H,15,16)
InChIKeyVYVSMMQDKPLMOX-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.50
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide (PubChem CID 1071662) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide
PubChem CID1071662
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccoc2C)cc1Cl
InChIInChI=1S/C13H12ClNO3/c1-8-10(5-6-18-8)13(16)15-9-3-4-12(17-2)11(14)7-9/h3-7H,1-2H3,(H,15,16)
InChIKeyVYVSMMQDKPLMOX-UHFFFAOYSA-N
XLogP3.50
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide (CID 1071662) is N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide is COc1ccc(NC(=O)c2ccoc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide?
The InChIKey is VYVSMMQDKPLMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-8-10(5-6-18-8)13(16)15-9-3-4-12(17-2)11(14)7-9/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 1071662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).