2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide

C14H20FNO2 — CID 113234175

IUPAC2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1ccc(OC)cc1F
InChIInChI=1S/C14H20FNO2/c1-5-10(2)9-16(3)14(17)12-7-6-11(18-4)8-13(12)15/h6-8,10H,5,9H2,1-4H3
InChIKeyAGZBHXDORCBASH-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.95
Rot. Bonds5

About 2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide

2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide (PubChem CID 113234175) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide
PubChem CID113234175
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1ccc(OC)cc1F
InChIInChI=1S/C14H20FNO2/c1-5-10(2)9-16(3)14(17)12-7-6-11(18-4)8-13(12)15/h6-8,10H,5,9H2,1-4H3
InChIKeyAGZBHXDORCBASH-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885366
N-(2-bromo-3-methoxypropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885157
2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747382
2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
CID 103604552
2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113218973
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 55379395
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide (CID 113234175) is 2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide is CCC(C)CN(C)C(=O)c1ccc(OC)cc1F.
What is the InChIKey of 2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide?
The InChIKey is AGZBHXDORCBASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-5-10(2)9-16(3)14(17)12-7-6-11(18-4)8-13(12)15/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide?
2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide has a molecular weight of 253.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 113234175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).