4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide

C15H21BrN2O2 — CID 114327520

IUPAC4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C(C)(C)Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-14(2,3)18-12(19)10-6-8-11(9-7-10)17-13(20)15(4,5)16/h6-9H,1-5H3,(H,17,20)(H,18,19)
InChIKeySARUCZBEHYERJV-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.33
Rot. Bonds3

About 4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide

4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide (PubChem CID 114327520) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
PubChem CID114327520
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C(C)(C)Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-14(2,3)18-12(19)10-6-8-11(9-7-10)17-13(20)15(4,5)16/h6-9H,1-5H3,(H,17,20)(H,18,19)
InChIKeySARUCZBEHYERJV-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide 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-bromo-2-methylpropanoyl)amino]benzamide
CID 116816922
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
N-tert-butyl-4-(2-methylbutanoylamino)benzamide
CID 46540195
4-[4-(tert-butylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 53407470
N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide
CID 62639345
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
N-tert-butyl-4-(125I)iodo(125I)benzamide
CID 177457231
ethyl 3-[4-(tert-butylcarbamoyl)anilino]-3-oxopropanoate
CID 17199584
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide?
The IUPAC name of 4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide (CID 114327520) is 4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide.
What is the SMILES notation for 4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide?
The canonical SMILES for 4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1ccc(NC(=O)C(C)(C)Br)cc1.
What is the InChIKey of 4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide?
The InChIKey is SARUCZBEHYERJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-14(2,3)18-12(19)10-6-8-11(9-7-10)17-13(20)15(4,5)16/h6-9H,1-5H3,(H,17,20)(H,18,19).
What are the key properties of 4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide?
4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide has a molecular weight of 341.25 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide is sourced from PubChem (CID 114327520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).