N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide

C14H20FNO2 — CID 103659243

IUPACN-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C(C)(C)C)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-9(14(2,3)4)16-13(17)11-7-6-10(18-5)8-12(11)15/h6-9H,1-5H3,(H,16,17)
InChIKeyKAWKPIMGSQRQRT-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.00
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide

N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide (PubChem CID 103659243) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide
PubChem CID103659243
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C(C)(C)C)c(F)c1
InChIInChI=1S/C14H20FNO2/c1-9(14(2,3)4)16-13(17)11-7-6-10(18-5)8-12(11)15/h6-9H,1-5H3,(H,16,17)
InChIKeyKAWKPIMGSQRQRT-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid
CID 102882007
N-(1-chloro-4-methylpentan-3-yl)-2-fluoro-4-methoxybenzamide
CID 114177723
(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 103804241
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
CID 3713730
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
2-fluoro-4-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 27754688
2-amino-1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 103397216
2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 113235181
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 86906510
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide (CID 103659243) is N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC(C)C(C)(C)C)c(F)c1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide?
The InChIKey is KAWKPIMGSQRQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(14(2,3)4)16-13(17)11-7-6-10(18-5)8-12(11)15/h6-9H,1-5H3,(H,16,17).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide?
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide has a molecular weight of 253.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 103659243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).