N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

C13H17BrN2O3 — CID 110924001

IUPACN'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCc1c(Br)cccc1NC(=O)C(=O)NCC(C)CO
InChIInChI=1S/C13H17BrN2O3/c1-8(7-17)6-15-12(18)13(19)16-11-5-3-4-10(14)9(11)2/h3-5,8,17H,6-7H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyVZXQHDKUQGREHE-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.44
Rot. Bonds4

About N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (PubChem CID 110924001) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
PubChem CID110924001
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC NameN'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCc1c(Br)cccc1NC(=O)C(=O)NCC(C)CO
InChIInChI=1S/C13H17BrN2O3/c1-8(7-17)6-15-12(18)13(19)16-11-5-3-4-10(14)9(11)2/h3-5,8,17H,6-7H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyVZXQHDKUQGREHE-UHFFFAOYSA-N
XLogP1.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669560
N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669914
N'-(2,3-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2223011
N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669792
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669822
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
2-amino-N-(3-bromo-2-methylphenyl)butanamide
CID 103794806
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The IUPAC name of N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (CID 110924001) is N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.
What is the SMILES notation for N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The canonical SMILES for N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is Cc1c(Br)cccc1NC(=O)C(=O)NCC(C)CO.
What is the InChIKey of N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The InChIKey is VZXQHDKUQGREHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-8(7-17)6-15-12(18)13(19)16-11-5-3-4-10(14)9(11)2/h3-5,8,17H,6-7H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide has a molecular weight of 329.19 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is sourced from PubChem (CID 110924001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).