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

C13H12FNO2 — CID 110731628

IUPAC3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(F)c2)o1
InChIInChI=1S/C13H12FNO2/c1-9-5-6-12(17-9)8-15-13(16)10-3-2-4-11(14)7-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyBGKLXPPMMRIPBB-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.66
Rot. Bonds3

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

3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 110731628) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID110731628
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(F)c2)o1
InChIInChI=1S/C13H12FNO2/c1-9-5-6-12(17-9)8-15-13(16)10-3-2-4-11(14)7-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyBGKLXPPMMRIPBB-UHFFFAOYSA-N
XLogP2.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
3-fluoro-N-[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 78836869
4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 46327404
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
2-(ethylamino)-3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62660746
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-fluorobenzamide
CID 110641872
2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 102882068
2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 55256173
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 110731628) is 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2cccc(F)c2)o1.
What is the InChIKey of 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is BGKLXPPMMRIPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-9-5-6-12(17-9)8-15-13(16)10-3-2-4-11(14)7-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide?
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 233.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 110731628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).