5-fluoro-4-methyl-2-propan-2-yloxybenzamide

C11H14FNO2 — CID 59113922

IUPAC5-fluoro-4-methyl-2-propan-2-yloxybenzamide
SMILESCc1cc(OC(C)C)c(C(N)=O)cc1F
InChIInChI=1S/C11H14FNO2/c1-6(2)15-10-4-7(3)9(12)5-8(10)11(13)14/h4-6H,1-3H3,(H2,13,14)
InChIKeyHTTHYGQVCYPOBP-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.02
Rot. Bonds3

About 5-fluoro-4-methyl-2-propan-2-yloxybenzamide

5-fluoro-4-methyl-2-propan-2-yloxybenzamide (PubChem CID 59113922) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-propan-2-yloxybenzamide
PubChem CID59113922
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name5-fluoro-4-methyl-2-propan-2-yloxybenzamide
SMILESCc1cc(OC(C)C)c(C(N)=O)cc1F
InChIInChI=1S/C11H14FNO2/c1-6(2)15-10-4-7(3)9(12)5-8(10)11(13)14/h4-6H,1-3H3,(H2,13,14)
InChIKeyHTTHYGQVCYPOBP-UHFFFAOYSA-N
XLogP2.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-4-methyl-2-propan-2-yloxybenzenecarbothioamide
CID 22955942
4-fluoro-5-methyl-2-propan-2-yloxyphenol
CID 125116043
4-fluoro-2,5-dimethylbenzamide
CID 119025196
4-amino-2-propan-2-yloxybenzamide
CID 53495725
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
2,3-dihydroxy-6-methyl-4-propan-2-yloxybenzamide
CID 145120654
5-fluoro-2-methyl-4-propan-2-ylbenzamide
CID 58333607
2-bromo-4-fluoro-5-methylbenzamide
CID 131582369
5-hydroxy-3-propan-2-yloxynaphthalene-2-carboxamide
CID 118414497
2-(2-amino-4-fluoro-5-methylphenoxy)benzamide
CID 103590954
(Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide
CID 143084517
1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
CID 130512828

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-propan-2-yloxybenzamide?
The IUPAC name of 5-fluoro-4-methyl-2-propan-2-yloxybenzamide (CID 59113922) is 5-fluoro-4-methyl-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-fluoro-4-methyl-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-fluoro-4-methyl-2-propan-2-yloxybenzamide is Cc1cc(OC(C)C)c(C(N)=O)cc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-propan-2-yloxybenzamide?
The InChIKey is HTTHYGQVCYPOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-6(2)15-10-4-7(3)9(12)5-8(10)11(13)14/h4-6H,1-3H3,(H2,13,14).
What are the key properties of 5-fluoro-4-methyl-2-propan-2-yloxybenzamide?
5-fluoro-4-methyl-2-propan-2-yloxybenzamide has a molecular weight of 211.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-propan-2-yloxybenzamide is sourced from PubChem (CID 59113922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).