3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide

C14H14ClNO3 — CID 881556

IUPAC3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C14H14ClNO3/c1-2-18-13-6-5-10(8-12(13)15)14(17)16-9-11-4-3-7-19-11/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyLNGRNLUDEVMPDG-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.26
Rot. Bonds5

About 3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide

3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide (PubChem CID 881556) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide
PubChem CID881556
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)NCc2ccco2)cc1Cl
InChIInChI=1S/C14H14ClNO3/c1-2-18-13-6-5-10(8-12(13)15)14(17)16-9-11-4-3-7-19-11/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyLNGRNLUDEVMPDG-UHFFFAOYSA-N
XLogP3.26
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide (CID 881556) is 3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide is CCOc1ccc(C(=O)NCc2ccco2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide?
The InChIKey is LNGRNLUDEVMPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-2-18-13-6-5-10(8-12(13)15)14(17)16-9-11-4-3-7-19-11/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of 3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide?
3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide has a molecular weight of 279.72 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 881556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).