2-fluoro-3-methyl-N-propan-2-yloxybenzamide

C11H14FNO2 — CID 130778652

IUPAC2-fluoro-3-methyl-N-propan-2-yloxybenzamide
SMILESCc1cccc(C(=O)NOC(C)C)c1F
InChIInChI=1S/C11H14FNO2/c1-7(2)15-13-11(14)9-6-4-5-8(3)10(9)12/h4-7H,1-3H3,(H,13,14)
InChIKeyXRDAMAUPUDZUOP-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.20
Rot. Bonds3

About 2-fluoro-3-methyl-N-propan-2-yloxybenzamide

2-fluoro-3-methyl-N-propan-2-yloxybenzamide (PubChem CID 130778652) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-propan-2-yloxybenzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-propan-2-yloxybenzamide
PubChem CID130778652
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-fluoro-3-methyl-N-propan-2-yloxybenzamide
SMILESCc1cccc(C(=O)NOC(C)C)c1F
InChIInChI=1S/C11H14FNO2/c1-7(2)15-13-11(14)9-6-4-5-8(3)10(9)12/h4-7H,1-3H3,(H,13,14)
InChIKeyXRDAMAUPUDZUOP-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 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 ≤ 52.20
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

3-bromo-2-methyl-N-propan-2-yloxybenzamide
CID 131020955
ethyl 2-[(2-fluoro-3-methylbenzoyl)amino]propanoate
CID 80717900
N-(4-bromobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 83179699
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
CID 82946104
N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide
CID 113485144
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide
CID 81477970
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
CID 80711780
3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide
CID 150751451
N-(4-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 81481600
2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate
CID 83210686

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-propan-2-yloxybenzamide?
The IUPAC name of 2-fluoro-3-methyl-N-propan-2-yloxybenzamide (CID 130778652) is 2-fluoro-3-methyl-N-propan-2-yloxybenzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-propan-2-yloxybenzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-propan-2-yloxybenzamide is Cc1cccc(C(=O)NOC(C)C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-propan-2-yloxybenzamide?
The InChIKey is XRDAMAUPUDZUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7(2)15-13-11(14)9-6-4-5-8(3)10(9)12/h4-7H,1-3H3,(H,13,14).
What are the key properties of 2-fluoro-3-methyl-N-propan-2-yloxybenzamide?
2-fluoro-3-methyl-N-propan-2-yloxybenzamide has a molecular weight of 211.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-propan-2-yloxybenzamide is sourced from PubChem (CID 130778652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).