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

C13H12ClNO2 — CID 110731650

IUPAC2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2Cl)o1
InChIInChI=1S/C13H12ClNO2/c1-9-6-7-10(17-9)8-15-13(16)11-4-2-3-5-12(11)14/h2-7H,8H2,1H3,(H,15,16)
InChIKeyKMARWIORWXXYHP-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.17
Rot. Bonds3

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

2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 110731650) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID110731650
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2Cl)o1
InChIInChI=1S/C13H12ClNO2/c1-9-6-7-10(17-9)8-15-13(16)11-4-2-3-5-12(11)14/h2-7H,8H2,1H3,(H,15,16)
InChIKeyKMARWIORWXXYHP-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

2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731629
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
2-chloro-N-[[5-(furan-2-yl)furan-2-yl]methyl]benzamide
CID 119101854
2-(1,3-dioxoisoindol-2-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 46862747
3-chloro-6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62522719
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939
2-chloro-N-[(5-methylfuran-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387394
2-chloro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 119101790
5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 114045976
2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62660746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 110731650) is 2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2Cl)o1.
What is the InChIKey of 2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is KMARWIORWXXYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9-6-7-10(17-9)8-15-13(16)11-4-2-3-5-12(11)14/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide?
2-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 2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 110731650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).