N-tert-butyl-2-fluoro-3-methoxybenzamide

C12H16FNO2 — CID 14924402

IUPACN-tert-butyl-2-fluoro-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)(C)C)c1F
InChIInChI=1S/C12H16FNO2/c1-12(2,3)14-11(15)8-6-5-7-9(16-4)10(8)13/h5-7H,1-4H3,(H,14,15)
InChIKeyKABIXBYIHDSEFG-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.36
Rot. Bonds2

About N-tert-butyl-2-fluoro-3-methoxybenzamide

N-tert-butyl-2-fluoro-3-methoxybenzamide (PubChem CID 14924402) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-tert-butyl-2-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-tert-butyl-2-fluoro-3-methoxybenzamide
PubChem CID14924402
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-tert-butyl-2-fluoro-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)(C)C)c1F
InChIInChI=1S/C12H16FNO2/c1-12(2,3)14-11(15)8-6-5-7-9(16-4)10(8)13/h5-7H,1-4H3,(H,14,15)
InChIKeyKABIXBYIHDSEFG-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-fluoro-3-methoxybenzamide?
The IUPAC name of N-tert-butyl-2-fluoro-3-methoxybenzamide (CID 14924402) is N-tert-butyl-2-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-tert-butyl-2-fluoro-3-methoxybenzamide?
The canonical SMILES for N-tert-butyl-2-fluoro-3-methoxybenzamide is COc1cccc(C(=O)NC(C)(C)C)c1F.
What is the InChIKey of N-tert-butyl-2-fluoro-3-methoxybenzamide?
The InChIKey is KABIXBYIHDSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(2,3)14-11(15)8-6-5-7-9(16-4)10(8)13/h5-7H,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-2-fluoro-3-methoxybenzamide?
N-tert-butyl-2-fluoro-3-methoxybenzamide has a molecular weight of 225.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-fluoro-3-methoxybenzamide is sourced from PubChem (CID 14924402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).