4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide

C13H12ClNO2 — CID 110731652

IUPAC4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H12ClNO2/c1-9-2-7-12(17-9)8-15-13(16)10-3-5-11(14)6-4-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyNGPIPMTWQMXQRA-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.17
Rot. Bonds3

About 4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide

4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 110731652) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID110731652
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C13H12ClNO2/c1-9-2-7-12(17-9)8-15-13(16)10-3-5-11(14)6-4-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyNGPIPMTWQMXQRA-UHFFFAOYSA-N
XLogP3.17
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 16571962
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 62523594
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55081452
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
4-[(4-benzyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53135627
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 31121475
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 55256173
4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 22509557

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 110731652) is 4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(Cl)cc2)o1.
What is the InChIKey of 4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is NGPIPMTWQMXQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9-2-7-12(17-9)8-15-13(16)10-3-5-11(14)6-4-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide?
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 249.70 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 110731652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).