(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide

C12H17BrN2O — CID 61148878

IUPAC(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-12(2,3)10(14)11(16)15-9-7-5-4-6-8(9)13/h4-7,10H,14H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyYMSDHOOMCYMVMQ-SNVBAGLBSA-N
MW285.19 g/mol
LogP2.76
Rot. Bonds2

About (2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide (PubChem CID 61148878) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
PubChem CID61148878
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccccc1Br
InChIInChI=1S/C12H17BrN2O/c1-12(2,3)10(14)11(16)15-9-7-5-4-6-8(9)13/h4-7,10H,14H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyYMSDHOOMCYMVMQ-SNVBAGLBSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3,3-dimethylbutanamide
CID 103930341
2-amino-N-(2,6-dibromophenyl)-3,3-dimethylbutanamide
CID 107599700
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
2-amino-N-(2,5-dibromophenyl)-3,3-dimethylbutanamide
CID 76887880
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
(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-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]acetic acid
CID 62535737
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588
2-[(2-bromophenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536665
(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide
CID 61179694
2-amino-N-(2-bromophenyl)butanamide
CID 43649425

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide (CID 61148878) is (2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)Nc1ccccc1Br.
What is the InChIKey of (2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide?
The InChIKey is YMSDHOOMCYMVMQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-12(2,3)10(14)11(16)15-9-7-5-4-6-8(9)13/h4-7,10H,14H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide has a molecular weight of 285.19 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 61148878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).