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

C12H10ClNO2 — CID 720138

IUPAC4-chloro-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h1-7H,8H2,(H,14,15)
InChIKeySKMGYVCLHQFMCA-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.86
Rot. Bonds3

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

4-chloro-N-(furan-2-ylmethyl)benzamide (PubChem CID 720138) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)benzamide
PubChem CID720138
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name4-chloro-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h1-7H,8H2,(H,14,15)
InChIKeySKMGYVCLHQFMCA-UHFFFAOYSA-N
XLogP2.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)benzamide (CID 720138) is 4-chloro-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)benzamide?
The InChIKey is SKMGYVCLHQFMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h1-7H,8H2,(H,14,15).
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)benzamide?
4-chloro-N-(furan-2-ylmethyl)benzamide has a molecular weight of 235.67 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 720138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).