2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide

C14H20FNO2 — CID 113235181

IUPAC2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C14H20FNO2/c1-5-14(3,6-2)16-13(17)11-8-7-10(18-4)9-12(11)15/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyHAHBWUNKLYQGKP-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.14
Rot. Bonds5

About 2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide

2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide (PubChem CID 113235181) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
PubChem CID113235181
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
SMILESCCC(C)(CC)NC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C14H20FNO2/c1-5-14(3,6-2)16-13(17)11-8-7-10(18-4)9-12(11)15/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyHAHBWUNKLYQGKP-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide
CID 113341083
N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 114303621
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 106168512
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide
CID 103659243
2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid
CID 102882007
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide;hydrochloride
CID 119523159
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide (CID 113235181) is 2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide is CCC(C)(CC)NC(=O)c1ccc(OC)cc1F.
What is the InChIKey of 2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide?
The InChIKey is HAHBWUNKLYQGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-5-14(3,6-2)16-13(17)11-8-7-10(18-4)9-12(11)15/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide?
2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide has a molecular weight of 253.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide is sourced from PubChem (CID 113235181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).