N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide

C14H19BrN2O3 — CID 111491144

IUPACN'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
SMILESCC(C)(CCO)CNC(=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3/c1-14(2,7-8-18)9-16-12(19)13(20)17-11-5-3-10(15)4-6-11/h3-6,18H,7-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyGQDQGJPKJJKJMH-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.91
Rot. Bonds5

About N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide

N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide (PubChem CID 111491144) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
PubChem CID111491144
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
SMILESCC(C)(CCO)CNC(=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3/c1-14(2,7-8-18)9-16-12(19)13(20)17-11-5-3-10(15)4-6-11/h3-6,18H,7-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyGQDQGJPKJJKJMH-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide 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

N'-(2-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491139
N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491126
N-(4-hydroxy-2,2-dimethylbutyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 111491182
N-(2-acetamidoethyl)-N'-(4-bromophenyl)oxamide
CID 47226214
2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 104920342
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491170
3-(4-bromophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 103825257
1-(4-bromo-2-fluorophenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111472928
1-(4-cyanophenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 103710020
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
CID 124626154
5-bromo-2-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772446
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
The IUPAC name of N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide (CID 111491144) is N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
The canonical SMILES for N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide is CC(C)(CCO)CNC(=O)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
The InChIKey is GQDQGJPKJJKJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-14(2,7-8-18)9-16-12(19)13(20)17-11-5-3-10(15)4-6-11/h3-6,18H,7-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide?
N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide has a molecular weight of 343.22 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide is sourced from PubChem (CID 111491144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).