3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide

C13H12ClFN2O2 — CID 60780936

IUPAC3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NCc1ccc(Cl)o1
InChIInChI=1S/C13H12ClFN2O2/c1-7-10(15)4-8(13(16)18)5-11(7)17-6-9-2-3-12(14)19-9/h2-5,17H,6H2,1H3,(H2,16,18)
InChIKeyXCLWHDCDVUBFGQ-UHFFFAOYSA-N
MW282.70 g/mol
LogP3.09
Rot. Bonds4

About 3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide

3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide (PubChem CID 60780936) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide
PubChem CID60780936
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NCc1ccc(Cl)o1
InChIInChI=1S/C13H12ClFN2O2/c1-7-10(15)4-8(13(16)18)5-11(7)17-6-9-2-3-12(14)19-9/h2-5,17H,6H2,1H3,(H2,16,18)
InChIKeyXCLWHDCDVUBFGQ-UHFFFAOYSA-N
XLogP3.09
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735719
3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735711
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115556847
3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide
CID 71876632
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
3-[(5-bromothiophen-3-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735810
3-fluoro-4-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43735801
methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate
CID 60780928
methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate
CID 60780204
3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide
CID 43735676

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide (CID 60780936) is 3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NCc1ccc(Cl)o1.
What is the InChIKey of 3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide?
The InChIKey is XCLWHDCDVUBFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-7-10(15)4-8(13(16)18)5-11(7)17-6-9-2-3-12(14)19-9/h2-5,17H,6H2,1H3,(H2,16,18).
What are the key properties of 3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide?
3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide has a molecular weight of 282.70 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 60780936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).