N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide

C13H18FNO — CID 3713730

IUPACN-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
SMILESCC(NC(=O)c1ccccc1F)C(C)(C)C
InChIInChI=1S/C13H18FNO/c1-9(13(2,3)4)15-12(16)10-7-5-6-8-11(10)14/h5-9H,1-4H3,(H,15,16)
InChIKeyOGGGVYDWJRJKEB-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.99
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide

N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide (PubChem CID 3713730) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
PubChem CID3713730
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide
SMILESCC(NC(=O)c1ccccc1F)C(C)(C)C
InChIInChI=1S/C13H18FNO/c1-9(13(2,3)4)15-12(16)10-7-5-6-8-11(10)14/h5-9H,1-4H3,(H,15,16)
InChIKeyOGGGVYDWJRJKEB-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide
CID 103659243
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
N-(1,1-diphenylpropan-2-yl)-2-fluorobenzamide
CID 46432015
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide
CID 10570753
(E)-3-[3-(3,3-dimethylbutan-2-ylcarbamoyl)-4-fluorophenyl]prop-2-enoic acid
CID 104829771
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 91636239
methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
CID 95575620
1-(2-fluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456290

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide (CID 3713730) is N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide is CC(NC(=O)c1ccccc1F)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide?
The InChIKey is OGGGVYDWJRJKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(13(2,3)4)15-12(16)10-7-5-6-8-11(10)14/h5-9H,1-4H3,(H,15,16).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide?
N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide has a molecular weight of 223.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 3713730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).