2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide

C13H18FNO2 — CID 79796029

IUPAC2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
SMILESCCC(COC)NC(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO2/c1-4-10(8-17-3)15-13(16)11-6-5-9(2)7-12(11)14/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyMONALFMUYSIQAH-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.29
Rot. Bonds5

About 2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide

2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide (PubChem CID 79796029) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
PubChem CID79796029
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
SMILESCCC(COC)NC(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO2/c1-4-10(8-17-3)15-13(16)11-6-5-9(2)7-12(11)14/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyMONALFMUYSIQAH-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-1-methoxybutan-2-yl)-2-fluoro-5-methylbenzamide
CID 106156531
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide
CID 62647253
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
CID 103876983
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide
CID 106183345
N-(1-hydroxypentan-3-yl)-2-methoxy-5-methylbenzamide
CID 115767323
N-(1-chloro-3-methoxypropan-2-yl)-2-hydroxy-4-methylbenzamide
CID 106183449
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
5-bromo-N-(1-methoxybutan-2-yl)-2-methylbenzamide
CID 65311170
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-4-nitrobenzamide
CID 106183058

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide?
The IUPAC name of 2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide (CID 79796029) is 2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide is CCC(COC)NC(=O)c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide?
The InChIKey is MONALFMUYSIQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-10(8-17-3)15-13(16)11-6-5-9(2)7-12(11)14/h5-7,10H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide?
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide has a molecular weight of 239.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 79796029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).