2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide

C13H18FNO2 — CID 168997178

IUPAC2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide
SMILESCNC(=O)c1ccc(OCCC(C)C)cc1F
InChIInChI=1S/C13H18FNO2/c1-9(2)6-7-17-10-4-5-11(12(14)8-10)13(16)15-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyPOASGXGSYLSYQR-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.61
Rot. Bonds5

About 2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide

2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide (PubChem CID 168997178) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide
PubChem CID168997178
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide
SMILESCNC(=O)c1ccc(OCCC(C)C)cc1F
InChIInChI=1S/C13H18FNO2/c1-9(2)6-7-17-10-4-5-11(12(14)8-10)13(16)15-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)
InChIKeyPOASGXGSYLSYQR-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(3-methylbutoxy)-1-prop-1-en-2-ylbenzene
CID 168997622
1-[[2-fluoro-4-(3-methylbutoxy)phenyl]methyl]-N-methylazetidine-3-carboxamide
CID 176930687
1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one
CID 168997277
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
4-(6,8-dimethyl-4-propylnonoxy)-N-ethyl-2-fluorobenzamide
CID 143388228
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
[4-(methylamino)phenyl] 2-chloro-4-(3-methylbutoxy)benzoate
CID 59030066
methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
CID 69211241
1-[2-amino-5-(3-methylbutoxy)phenyl]ethanone
CID 104613220
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
N-methyl-2-[[4-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide
CID 17354136

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide?
The IUPAC name of 2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide (CID 168997178) is 2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide is CNC(=O)c1ccc(OCCC(C)C)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide?
The InChIKey is POASGXGSYLSYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(2)6-7-17-10-4-5-11(12(14)8-10)13(16)15-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide?
2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide has a molecular weight of 239.29 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 168997178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).