3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide

C13H11Cl2NO2 — CID 110731633

IUPAC3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H11Cl2NO2/c1-8-2-4-10(18-8)7-16-13(17)9-3-5-11(14)12(15)6-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyLZBQSUNNWKHEBB-UHFFFAOYSA-N
MW284.14 g/mol
LogP3.82
Rot. Bonds3

About 3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide

3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 110731633) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID110731633
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H11Cl2NO2/c1-8-2-4-10(18-8)7-16-13(17)9-3-5-11(14)12(15)6-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyLZBQSUNNWKHEBB-UHFFFAOYSA-N
XLogP3.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
5-[[(3,4-dichlorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023110
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
3-chloro-6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62522719
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 55256173
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877
1-methyl-N-[(5-methylfuran-2-yl)methyl]benzotriazole-5-carboxamide
CID 53051567
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55081452
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 62523594
5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 114045976

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 110731633) is 3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is LZBQSUNNWKHEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-8-2-4-10(18-8)7-16-13(17)9-3-5-11(14)12(15)6-9/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide?
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 284.14 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 110731633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).