3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide

C13H11ClFNO3 — CID 166230669

IUPAC3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccoc1CNC(=O)c1cc(F)c(O)c(Cl)c1
InChIInChI=1S/C13H11ClFNO3/c1-7-2-3-19-11(7)6-16-13(18)8-4-9(14)12(17)10(15)5-8/h2-5,17H,6H2,1H3,(H,16,18)
InChIKeyFNKBSYNPMRSKIH-UHFFFAOYSA-N
MW283.69 g/mol
LogP3.02
Rot. Bonds3

About 3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide

3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide (PubChem CID 166230669) has the molecular formula C13H11ClFNO3 and a molecular weight of 283.69 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide
PubChem CID166230669
Molecular FormulaC13H11ClFNO3
Molecular Weight283.69 g/mol
Exact Mass283.04
IUPAC Name3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccoc1CNC(=O)c1cc(F)c(O)c(Cl)c1
InChIInChI=1S/C13H11ClFNO3/c1-7-2-3-19-11(7)6-16-13(18)8-4-9(14)12(17)10(15)5-8/h2-5,17H,6H2,1H3,(H,16,18)
InChIKeyFNKBSYNPMRSKIH-UHFFFAOYSA-N
XLogP3.02
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide
CID 126791243
3-chloro-N-ethyl-4,5-dihydroxybenzamide
CID 144617791
3-[4-[3-fluoro-5-[(3-methylfuran-2-yl)methylcarbamoyl]phenyl]triazol-1-yl]cyclohexane-1-carboxylic acid
CID 167917465
(3-chloro-5-fluoro-4-hydroxyphenyl)-(4-chlorophenyl)methanone
CID 138392315
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912
3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115732894
3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115610944
N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63183628
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
5-[[(3-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 82873027
4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 82832866
3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115735463

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide (CID 166230669) is 3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide is Cc1ccoc1CNC(=O)c1cc(F)c(O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide?
The InChIKey is FNKBSYNPMRSKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3/c1-7-2-3-19-11(7)6-16-13(18)8-4-9(14)12(17)10(15)5-8/h2-5,17H,6H2,1H3,(H,16,18).
What are the key properties of 3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide?
3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide has a molecular weight of 283.69 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 166230669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).