(2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide

C12H16F2N2O — CID 103928376

IUPAC(2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O/c1-12(2,3)10(15)11(17)16-9-5-7(13)4-8(14)6-9/h4-6,10H,15H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyJYDJQULTEOHDSZ-JTQLQIEISA-N
MW242.27 g/mol
LogP2.28
Rot. Bonds2

About (2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide (PubChem CID 103928376) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is (2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide
PubChem CID103928376
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O/c1-12(2,3)10(15)11(17)16-9-5-7(13)4-8(14)6-9/h4-6,10H,15H2,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyJYDJQULTEOHDSZ-JTQLQIEISA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-chloro-3-fluorophenyl)-3,3-dimethylbutanamide
CID 61178407
(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 107641656
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-fluorobenzoic acid
CID 103869120
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887947
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide
CID 103808708
2-amino-1-(3,5-difluorophenyl)-3,3-dimethylbutan-1-one
CID 116611562
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2R)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide
CID 79050426
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)propanamide
CID 79049472

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide (CID 103928376) is (2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of (2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide?
The InChIKey is JYDJQULTEOHDSZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-12(2,3)10(15)11(17)16-9-5-7(13)4-8(14)6-9/h4-6,10H,15H2,1-3H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide has a molecular weight of 242.27 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3,5-difluorophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103928376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).