2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide

C13H17BrN2O2 — CID 825309

IUPAC2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide
SMILESCC(C)C[C@@H](Br)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H17BrN2O2/c1-8(2)7-10(14)13(18)16-11-6-4-3-5-9(11)12(15)17/h3-6,8,10H,7H2,1-2H3,(H2,15,17)(H,16,18)/t10-/m1/s1
InChIKeySJSSPNMDWMSUNY-SNVBAGLBSA-N
MW313.19 g/mol
LogP2.53
Rot. Bonds5

About 2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide

2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide (PubChem CID 825309) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide
PubChem CID825309
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide
SMILESCC(C)C[C@@H](Br)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H17BrN2O2/c1-8(2)7-10(14)13(18)16-11-6-4-3-5-9(11)12(15)17/h3-6,8,10H,7H2,1-2H3,(H2,15,17)(H,16,18)/t10-/m1/s1
InChIKeySJSSPNMDWMSUNY-SNVBAGLBSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromobutanoylamino)benzamide
CID 23323526
2-(2-bromopropanoylamino)benzamide
CID 14588064
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide
CID 119094650
2-(2-ethylbutanoylamino)benzamide
CID 1214109
2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]benzamide
CID 78814473
[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate
CID 11075874
2-[(2-amino-4-methoxybutanoyl)amino]benzamide
CID 55080862
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
CID 61148588
2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 1336329
2-(1-aminopropan-2-ylamino)benzamide
CID 63733598
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide?
The IUPAC name of 2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide (CID 825309) is 2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide is CC(C)C[C@@H](Br)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide?
The InChIKey is SJSSPNMDWMSUNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8(2)7-10(14)13(18)16-11-6-4-3-5-9(11)12(15)17/h3-6,8,10H,7H2,1-2H3,(H2,15,17)(H,16,18)/t10-/m1/s1.
What are the key properties of 2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide?
2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-bromo-4-methylpentanoyl]amino]benzamide is sourced from PubChem (CID 825309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).