(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide

C13H18BrFN2O — CID 103929422

IUPAC(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C13H18BrFN2O/c1-13(2,3)11(16)12(18)17-7-8-6-9(15)4-5-10(8)14/h4-6,11H,7,16H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyPZCFCBGRNMGREG-NSHDSACASA-N
MW317.20 g/mol
LogP2.58
Rot. Bonds3

About (2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide (PubChem CID 103929422) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide
PubChem CID103929422
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C13H18BrFN2O/c1-13(2,3)11(16)12(18)17-7-8-6-9(15)4-5-10(8)14/h4-6,11H,7,16H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyPZCFCBGRNMGREG-NSHDSACASA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708234
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119708034
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloropropanamide
CID 61017025
2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3-methoxypropanamide
CID 81089667
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 76897904
(2S)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]hexanamide
CID 93445031
1-[(2-bromo-5-fluorophenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338194
2-amino-N-[(2-bromo-4-fluorophenyl)methyl]propanamide
CID 119297944
N-[(2-bromo-5-fluorophenyl)methyl]butanamide
CID 61062956
2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290268
2-bromo-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 63679531
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide (CID 103929422) is (2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of (2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is PZCFCBGRNMGREG-NSHDSACASA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-13(2,3)11(16)12(18)17-7-8-6-9(15)4-5-10(8)14/h4-6,11H,7,16H2,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 317.20 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103929422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).