3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

C15H16FNO2 — CID 51232444

IUPAC3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(C)c(F)c2)o1
InChIInChI=1S/C15H16FNO2/c1-9-4-6-12(8-13(9)16)15(18)17-11(3)14-7-5-10(2)19-14/h4-8,11H,1-3H3,(H,17,18)
InChIKeyISPSLDUHVBQMSJ-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.53
Rot. Bonds3

About 3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (PubChem CID 51232444) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
PubChem CID51232444
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(C)c(F)c2)o1
InChIInChI=1S/C15H16FNO2/c1-9-4-6-12(8-13(9)16)15(18)17-11(3)14-7-5-10(2)19-14/h4-8,11H,1-3H3,(H,17,18)
InChIKeyISPSLDUHVBQMSJ-UHFFFAOYSA-N
XLogP3.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-(methylamino)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 63185216
4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103951699
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 63977964
3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46494747
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392
N-[1-(4-bromophenyl)ethyl]-3-fluoro-4-methylbenzamide
CID 45351842
N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide
CID 47190593
3-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79031074
N-(1-chloro-3-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114305513
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide
CID 94679161
3-fluoro-4-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41089115

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (CID 51232444) is 3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccc(C)c(F)c2)o1.
What is the InChIKey of 3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The InChIKey is ISPSLDUHVBQMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-9-4-6-12(8-13(9)16)15(18)17-11(3)14-7-5-10(2)19-14/h4-8,11H,1-3H3,(H,17,18).
What are the key properties of 3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide has a molecular weight of 261.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 51232444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).