2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide

C13H16FNO3 — CID 65434403

IUPAC2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
SMILESCOc1cccc(F)c1C(=O)NCC(=O)C(C)C
InChIInChI=1S/C13H16FNO3/c1-8(2)10(16)7-15-13(17)12-9(14)5-4-6-11(12)18-3/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyRBHHTIOXTKIUEY-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.79
Rot. Bonds5

About 2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide

2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide (PubChem CID 65434403) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
PubChem CID65434403
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
SMILESCOc1cccc(F)c1C(=O)NCC(=O)C(C)C
InChIInChI=1S/C13H16FNO3/c1-8(2)10(16)7-15-13(17)12-9(14)5-4-6-11(12)18-3/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyRBHHTIOXTKIUEY-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956
5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104681666
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
CID 114389675
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide?
The IUPAC name of 2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide (CID 65434403) is 2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide.
What is the SMILES notation for 2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide?
The canonical SMILES for 2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide is COc1cccc(F)c1C(=O)NCC(=O)C(C)C.
What is the InChIKey of 2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide?
The InChIKey is RBHHTIOXTKIUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8(2)10(16)7-15-13(17)12-9(14)5-4-6-11(12)18-3/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of 2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide?
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 253.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 65434403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).