(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide

C13H18Br2N2O2 — CID 103413783

IUPAC(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1cc(NC(=O)[C@H](N)C(C)(C)C)c(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O2/c1-13(2,3)11(16)12(18)17-9-6-10(19-4)8(15)5-7(9)14/h5-6,11H,16H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyYEDNRAUJKTYMHF-NSHDSACASA-N
MW394.11 g/mol
LogP3.53
Rot. Bonds3

About (2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide (PubChem CID 103413783) has the molecular formula C13H18Br2N2O2 and a molecular weight of 394.11 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide
PubChem CID103413783
Molecular FormulaC13H18Br2N2O2
Molecular Weight394.11 g/mol
Exact Mass391.97
IUPAC Name(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1cc(NC(=O)[C@H](N)C(C)(C)C)c(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O2/c1-13(2,3)11(16)12(18)17-9-6-10(19-4)8(15)5-7(9)14/h5-6,11H,16H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyYEDNRAUJKTYMHF-NSHDSACASA-N
XLogP3.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-4-methylsulfanylbutanamide
CID 103413900
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
2-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]propanoic acid
CID 103416279
(2R)-2-amino-N-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-3,3-dimethylbutanamide
CID 103928868
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501
(2S)-2-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 61180758
(2R)-2-amino-N-(2-bromo-4-iodophenyl)-3,3-dimethylbutanamide
CID 114259905
(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272
2-[(2,4-dibromo-5-methoxyphenyl)carbamoylamino]-2-methylbutanoic acid
CID 103416271
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide (CID 103413783) is (2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide is COc1cc(NC(=O)[C@H](N)C(C)(C)C)c(Br)cc1Br.
What is the InChIKey of (2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide?
The InChIKey is YEDNRAUJKTYMHF-NSHDSACASA-N. The full InChI is InChI=1S/C13H18Br2N2O2/c1-13(2,3)11(16)12(18)17-9-6-10(19-4)8(15)5-7(9)14/h5-6,11H,16H2,1-4H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide has a molecular weight of 394.11 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103413783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).