(2S)-2-bromo-N,4-dimethylpentanamide

C7H14BrNO — CID 59001731

IUPAC(2S)-2-bromo-N,4-dimethylpentanamide
SMILESCNC(=O)[C@@H](Br)CC(C)C
InChIInChI=1S/C7H14BrNO/c1-5(2)4-6(8)7(10)9-3/h5-6H,4H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyQKADZGNIPYJCPD-LURJTMIESA-N
MW208.10 g/mol
LogP1.54
Rot. Bonds3

About (2S)-2-bromo-N,4-dimethylpentanamide

(2S)-2-bromo-N,4-dimethylpentanamide (PubChem CID 59001731) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is (2S)-2-bromo-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-bromo-N,4-dimethylpentanamide
PubChem CID59001731
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC Name(2S)-2-bromo-N,4-dimethylpentanamide
SMILESCNC(=O)[C@@H](Br)CC(C)C
InChIInChI=1S/C7H14BrNO/c1-5(2)4-6(8)7(10)9-3/h5-6H,4H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeyQKADZGNIPYJCPD-LURJTMIESA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-methylbutanamide;hydrochloride
CID 154809614
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
(2R)-N-methyl-2-(4-methylpentan-2-ylamino)propanamide
CID 103932028
2,4-dimethylpentanamide;N,2,4-trimethylpentanamide
CID 143544198
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide
CID 119094650
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide
CID 90478336
N,2,5-trimethylhexanamide
CID 78065622
(2R,4S,5S)-5-amino-4-hydroxy-N,2,7-trimethyloctanamide
CID 131863647
2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
CID 43695584
2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide
CID 825309

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-bromo-N,4-dimethylpentanamide (CID 59001731) is (2S)-2-bromo-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-bromo-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-bromo-N,4-dimethylpentanamide is CNC(=O)[C@@H](Br)CC(C)C.
What is the InChIKey of (2S)-2-bromo-N,4-dimethylpentanamide?
The InChIKey is QKADZGNIPYJCPD-LURJTMIESA-N. The full InChI is InChI=1S/C7H14BrNO/c1-5(2)4-6(8)7(10)9-3/h5-6H,4H2,1-3H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-bromo-N,4-dimethylpentanamide?
(2S)-2-bromo-N,4-dimethylpentanamide has a molecular weight of 208.10 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-N,4-dimethylpentanamide is sourced from PubChem (CID 59001731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).