N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide

C14H18F2N2O2 — CID 1480087

IUPACN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1F)C(C)(C)C
InChIInChI=1S/C14H18F2N2O2/c1-14(2,3)11(13(20)17-4)18-12(19)9-6-5-8(15)7-10(9)16/h5-7,11H,1-4H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyXOECIYQWISLDSX-LLVKDONJSA-N
MW284.31 g/mol
LogP1.86
Rot. Bonds3

About N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide

N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide (PubChem CID 1480087) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide
PubChem CID1480087
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(F)cc1F)C(C)(C)C
InChIInChI=1S/C14H18F2N2O2/c1-14(2,3)11(13(20)17-4)18-12(19)9-6-5-8(15)7-10(9)16/h5-7,11H,1-4H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyXOECIYQWISLDSX-LLVKDONJSA-N
XLogP1.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide
CID 1480088
N-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamothioyl]-4-fluorobenzamide
CID 40532455
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
2-[(2-amino-5-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61160435
(2R)-2-[(2-amino-5-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103927182
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 171676565
N-(1-chloro-4-methylpentan-3-yl)-2,4-difluorobenzamide
CID 106354787
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 171674841
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
CID 114308135

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide (CID 1480087) is N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide is CNC(=O)[C@@H](NC(=O)c1ccc(F)cc1F)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide?
The InChIKey is XOECIYQWISLDSX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-14(2,3)11(13(20)17-4)18-12(19)9-6-5-8(15)7-10(9)16/h5-7,11H,1-4H3,(H,17,20)(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide?
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide has a molecular weight of 284.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 1480087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).