3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane

C15H21F4NO — CID 162064632

IUPAC3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane
SMILESC.CC(C)C[C@@H](C)NC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H17F4NO.CH4/c1-8(2)4-9(3)19-13(20)10-5-11(14(16,17)18)7-12(15)6-10;/h5-9H,4H2,1-3H3,(H,19,20);1H4/t9-;/m1./s1
InChIKeyZAHHINHGIAOXSY-SBSPUUFOSA-N
MW307.33 g/mol
LogP4.64
Rot. Bonds4

About 3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane

3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane (PubChem CID 162064632) has the molecular formula C15H21F4NO and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane.

Molecular Properties

Compound Name3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane
PubChem CID162064632
Molecular FormulaC15H21F4NO
Molecular Weight307.33 g/mol
Exact Mass307.16
IUPAC Name3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane
SMILESC.CC(C)C[C@@H](C)NC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H17F4NO.CH4/c1-8(2)4-9(3)19-13(20)10-5-11(14(16,17)18)7-12(15)6-10;/h5-9H,4H2,1-3H3,(H,19,20);1H4/t9-;/m1./s1
InChIKeyZAHHINHGIAOXSY-SBSPUUFOSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-[(2R)-4-methylsulfonylbutan-2-yl]-5-(trifluoromethyl)benzamide
CID 59897074
3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide
CID 97350116
undecyl 2-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]propanoate
CID 91737201
3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
CID 91649720
[(2S)-2-[[3,5-bis(trifluoromethyl)benzoyl]amino]propyl]-methyl-diphenylphosphanium
CID 162539902
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
3-fluoro-N-(1-naphthalen-2-ylethyl)-5-(trifluoromethyl)benzamide
CID 70693309
4-amino-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62155637
N-(4-chlorobutan-2-yl)-3,5-difluorobenzamide
CID 83180651
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
3,5-difluoro-N-(4-methylpentan-2-yl)-4-(propylamino)benzamide
CID 63185041
N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 119509675

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane?
The IUPAC name of 3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane (CID 162064632) is 3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane.
What is the SMILES notation for 3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane?
The canonical SMILES for 3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane is C.CC(C)C[C@@H](C)NC(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane?
The InChIKey is ZAHHINHGIAOXSY-SBSPUUFOSA-N. The full InChI is InChI=1S/C14H17F4NO.CH4/c1-8(2)4-9(3)19-13(20)10-5-11(14(16,17)18)7-12(15)6-10;/h5-9H,4H2,1-3H3,(H,19,20);1H4/t9-;/m1./s1.
What are the key properties of 3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane?
3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane has a molecular weight of 307.33 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2R)-4-methylpentan-2-yl]-5-(trifluoromethyl)benzamide;methane is sourced from PubChem (CID 162064632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).