2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide

C21H17ClN2O4 — CID 2382936

IUPAC2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide
SMILESCOc1ccc(-c2oc(NC(=O)CCl)c(C#N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H17ClN2O4/c1-26-15-7-3-13(4-8-15)19-17(12-23)21(24-18(25)11-22)28-20(19)14-5-9-16(27-2)10-6-14/h3-10H,11H2,1-2H3,(H,24,25)
InChIKeyQHRBLPZVDAWMNS-UHFFFAOYSA-N
MW396.83 g/mol
LogP4.68
Rot. Bonds6

About 2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide

2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide (PubChem CID 2382936) has the molecular formula C21H17ClN2O4 and a molecular weight of 396.83 g/mol. Its IUPAC name is 2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide
PubChem CID2382936
Molecular FormulaC21H17ClN2O4
Molecular Weight396.83 g/mol
Exact Mass396.09
IUPAC Name2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide
SMILESCOc1ccc(-c2oc(NC(=O)CCl)c(C#N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H17ClN2O4/c1-26-15-7-3-13(4-8-15)19-17(12-23)21(24-18(25)11-22)28-20(19)14-5-9-16(27-2)10-6-14/h3-10H,11H2,1-2H3,(H,24,25)
InChIKeyQHRBLPZVDAWMNS-UHFFFAOYSA-N
XLogP4.68
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide (CID 2382936) is 2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide is COc1ccc(-c2oc(NC(=O)CCl)c(C#N)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide?
The InChIKey is QHRBLPZVDAWMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4/c1-26-15-7-3-13(4-8-15)19-17(12-23)21(24-18(25)11-22)28-20(19)14-5-9-16(27-2)10-6-14/h3-10H,11H2,1-2H3,(H,24,25).
What are the key properties of 2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide?
2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide has a molecular weight of 396.83 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide is sourced from PubChem (CID 2382936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).