N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

C12H15BrN2O3 — CID 47669914

IUPACN'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCC(CO)CNC(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O3/c1-8(7-16)6-14-11(17)12(18)15-10-4-2-3-9(13)5-10/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyXRGDWJCVSXOVDZ-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.13
Rot. Bonds4

About N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (PubChem CID 47669914) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
PubChem CID47669914
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC NameN'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCC(CO)CNC(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O3/c1-8(7-16)6-14-11(17)12(18)15-10-4-2-3-9(13)5-10/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyXRGDWJCVSXOVDZ-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.13
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-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
CID 568365
N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 110924001
1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
CID 94819199
N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide
CID 2249399
N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669792
N'-(3-acetylphenyl)-N-(2-hydroxypropyl)oxamide
CID 47225795
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
N'-(3-hydroxyphenyl)-N-(2-methylpropyl)oxamide
CID 45000278
N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
CID 108522318
N-(3-hydroxy-2-methylpropyl)-N'-(1-methylindol-6-yl)oxamide
CID 111490459
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The IUPAC name of N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (CID 47669914) is N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The canonical SMILES for N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is CC(CO)CNC(=O)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The InChIKey is XRGDWJCVSXOVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-8(7-16)6-14-11(17)12(18)15-10-4-2-3-9(13)5-10/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide has a molecular weight of 315.17 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is sourced from PubChem (CID 47669914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).