4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide

C14H19BrN2O2 — CID 43701031

IUPAC4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)C(Br)C(C)C)cc1
InChIInChI=1S/C14H19BrN2O2/c1-4-16-13(18)10-5-7-11(8-6-10)17-14(19)12(15)9(2)3/h5-9,12H,4H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNWFXPQQLLFFAMS-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.79
Rot. Bonds5

About 4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide

4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide (PubChem CID 43701031) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide
PubChem CID43701031
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC(=O)C(Br)C(C)C)cc1
InChIInChI=1S/C14H19BrN2O2/c1-4-16-13(18)10-5-7-11(8-6-10)17-14(19)12(15)9(2)3/h5-9,12H,4H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyNWFXPQQLLFFAMS-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide 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

4-(2-aminopropanoylamino)-N-ethylbenzamide
CID 43712262
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-N-ethylbenzamide
CID 61174601
methyl 4-[(2-bromo-3-methylbutanoyl)amino]benzoate
CID 43346448
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
CID 119714147
2-bromo-3-methyl-N-(4-methylphenyl)butanamide
CID 24690960
(2R)-2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide
CID 7079963
N-ethyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47238365
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
4-benzamido-N-ethylbenzamide
CID 17153265
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride
CID 119714141
4-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]-N-ethylbenzamide
CID 17234385

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide?
The IUPAC name of 4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide (CID 43701031) is 4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide.
What is the SMILES notation for 4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide?
The canonical SMILES for 4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide is CCNC(=O)c1ccc(NC(=O)C(Br)C(C)C)cc1.
What is the InChIKey of 4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide?
The InChIKey is NWFXPQQLLFFAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-4-16-13(18)10-5-7-11(8-6-10)17-14(19)12(15)9(2)3/h5-9,12H,4H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide?
4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide has a molecular weight of 327.22 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-methylbutanoyl)amino]-N-ethylbenzamide is sourced from PubChem (CID 43701031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).