2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide

C14H13ClFNO2 — CID 56765555

IUPAC2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide
SMILESCc1cc(CNC(=O)c2ccc(F)cc2Cl)c(C)o1
InChIInChI=1S/C14H13ClFNO2/c1-8-5-10(9(2)19-8)7-17-14(18)12-4-3-11(16)6-13(12)15/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyIQAINBXXLJJEQY-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.62
Rot. Bonds3

About 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide

2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide (PubChem CID 56765555) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide
PubChem CID56765555
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide
SMILESCc1cc(CNC(=O)c2ccc(F)cc2Cl)c(C)o1
InChIInChI=1S/C14H13ClFNO2/c1-8-5-10(9(2)19-8)7-17-14(18)12-4-3-11(16)6-13(12)15/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyIQAINBXXLJJEQY-UHFFFAOYSA-N
XLogP3.62
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide (CID 56765555) is 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide is Cc1cc(CNC(=O)c2ccc(F)cc2Cl)c(C)o1.
What is the InChIKey of 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide?
The InChIKey is IQAINBXXLJJEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-8-5-10(9(2)19-8)7-17-14(18)12-4-3-11(16)6-13(12)15/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide?
2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide has a molecular weight of 281.71 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 56765555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).