2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide

C12H16FNO2 — CID 115409670

IUPAC2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide
SMILESCc1ccc(C(=O)NOCC(C)C)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-8(2)7-16-14-12(15)10-5-4-9(3)6-11(10)13/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyXYFUGYOVJGLDQE-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.45
Rot. Bonds4

About 2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide

2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide (PubChem CID 115409670) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide
PubChem CID115409670
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide
SMILESCc1ccc(C(=O)NOCC(C)C)c(F)c1
InChIInChI=1S/C12H16FNO2/c1-8(2)7-16-14-12(15)10-5-4-9(3)6-11(10)13/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyXYFUGYOVJGLDQE-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide
CID 112703509
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
2,3-dihydroxy-N-(2-methylpropoxy)benzamide
CID 114344886
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
2-methyl-N-(2-methylpropoxy)furan-3-carboxamide
CID 115409998
N-(3-chloro-2-methylpropyl)-2-fluoro-4-methylbenzamide
CID 114302822
2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
CID 83210328
2-methoxyethyl 2-fluoro-4-methylbenzoate
CID 79872980
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
CID 103876983
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803
N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide
CID 114208039

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide (CID 115409670) is 2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide is Cc1ccc(C(=O)NOCC(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide?
The InChIKey is XYFUGYOVJGLDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(2)7-16-14-12(15)10-5-4-9(3)6-11(10)13/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide?
2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide has a molecular weight of 225.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide is sourced from PubChem (CID 115409670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).