N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide

C20H24FNO2 — CID 71449413

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide
SMILESC[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)cc1)C(C)(C)C
InChIInChI=1S/C20H24FNO2/c1-14(20(2,3)4)22-19(23)16-8-10-18(11-9-16)24-13-15-6-5-7-17(21)12-15/h5-12,14H,13H2,1-4H3,(H,22,23)/t14-/m1/s1
InChIKeyOFVGJIXFUGLCKX-CQSZACIVSA-N
MW329.42 g/mol
LogP4.57
Rot. Bonds5

About N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide

N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide (PubChem CID 71449413) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide
PubChem CID71449413
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide
SMILESC[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)cc1)C(C)(C)C
InChIInChI=1S/C20H24FNO2/c1-14(20(2,3)4)22-19(23)16-8-10-18(11-9-16)24-13-15-6-5-7-17(21)12-15/h5-12,14H,13H2,1-4H3,(H,22,23)/t14-/m1/s1
InChIKeyOFVGJIXFUGLCKX-CQSZACIVSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide (CID 71449413) is N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide is C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)cc1)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide?
The InChIKey is OFVGJIXFUGLCKX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-14(20(2,3)4)22-19(23)16-8-10-18(11-9-16)24-13-15-6-5-7-17(21)12-15/h5-12,14H,13H2,1-4H3,(H,22,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide?
N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide has a molecular weight of 329.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-4-[(3-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 71449413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).