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

C13H12ClNO2 — CID 43156226

IUPAC4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(CCl)cc1
InChIInChI=1S/C13H12ClNO2/c14-8-10-3-5-11(6-4-10)13(16)15-9-12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16)
InChIKeyHINRAEMGUCEOSG-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.95
Rot. Bonds4

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

4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 43156226) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
PubChem CID43156226
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(CCl)cc1
InChIInChI=1S/C13H12ClNO2/c14-8-10-3-5-11(6-4-10)13(16)15-9-12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16)
InChIKeyHINRAEMGUCEOSG-UHFFFAOYSA-N
XLogP2.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256
4-[(1-amino-2-chloroethylidene)amino]-N-(furan-2-ylmethyl)benzamide
CID 169368032
[4-(furan-2-ylmethylcarbamoyl)phenyl]boronic acid;molecular hydrogen
CID 159533329
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide (CID 43156226) is 4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is HINRAEMGUCEOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-8-10-3-5-11(6-4-10)13(16)15-9-12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16).
What are the key properties of 4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide?
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 249.70 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 43156226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).