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

C14H14FNO2 — CID 63213507

IUPAC4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(F)c(C)c2)o1
InChIInChI=1S/C14H14FNO2/c1-9-7-11(4-6-13(9)15)14(17)16-8-12-5-3-10(2)18-12/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyUHQAMMTXVIOCEE-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.97
Rot. Bonds3

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

4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 63213507) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID63213507
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(F)c(C)c2)o1
InChIInChI=1S/C14H14FNO2/c1-9-7-11(4-6-13(9)15)14(17)16-8-12-5-3-10(2)18-12/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyUHQAMMTXVIOCEE-UHFFFAOYSA-N
XLogP2.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.97
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
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
N-[[4-(bromomethyl)phenyl]methyl]-4-fluoro-3-methylbenzamide
CID 107233716
4-fluoro-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79487393
N-cyclopropyl-4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213318
2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349456
2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 102882068
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
3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide
CID 62682694

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 63213507) is 4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(F)c(C)c2)o1.
What is the InChIKey of 4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is UHQAMMTXVIOCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9-7-11(4-6-13(9)15)14(17)16-8-12-5-3-10(2)18-12/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 247.27 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 63213507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).