3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide

C14H14ClNO2 — CID 90536049

IUPAC3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(Cl)c2)c(C)o1
InChIInChI=1S/C14H14ClNO2/c1-9-6-12(10(2)18-9)8-16-14(17)11-4-3-5-13(15)7-11/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyOFBRDGZYTJWDDH-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.48
Rot. Bonds3

About 3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide

3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide (PubChem CID 90536049) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
PubChem CID90536049
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2cccc(Cl)c2)c(C)o1
InChIInChI=1S/C14H14ClNO2/c1-9-6-12(10(2)18-9)8-16-14(17)11-4-3-5-13(15)7-11/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyOFBRDGZYTJWDDH-UHFFFAOYSA-N
XLogP3.48
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide
CID 25218348
4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536031
5-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]thiophene-2-carboxamide
CID 90536055
1-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylfuran-3-yl)methyl]-1-propan-2-ylurea
CID 86952626
N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 90536144
3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46470339
methyl 3-[[(2,5-dimethylfuran-3-yl)methylcarbamoylamino]methyl]benzoate
CID 84586835
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 86950492
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
3-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319283
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide (CID 90536049) is 3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide is Cc1cc(CNC(=O)c2cccc(Cl)c2)c(C)o1.
What is the InChIKey of 3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide?
The InChIKey is OFBRDGZYTJWDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-9-6-12(10(2)18-9)8-16-14(17)11-4-3-5-13(15)7-11/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide?
3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide has a molecular weight of 263.72 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide is sourced from PubChem (CID 90536049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).