N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide

C16H23BrN2O2 — CID 108526239

IUPACN-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-15(2,3)10-16(4,5)19-14(21)13(20)18-12-8-6-7-11(17)9-12/h6-9H,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyJVYCVWMSUIBXOZ-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.72
Rot. Bonds3

About N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide

N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108526239) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108526239
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-15(2,3)10-16(4,5)19-14(21)13(20)18-12-8-6-7-11(17)9-12/h6-9H,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyJVYCVWMSUIBXOZ-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108523109
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(3-methylphenyl)oxamide
CID 44996302
N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009
N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
CID 108522318
N-(3-bromophenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108522076
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
N-(4-chloro-3-nitrophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108512763
N'-(3-bromophenyl)-N-(4-chlorophenyl)oxamide
CID 108516651

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108526239) is N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is CC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is JVYCVWMSUIBXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-15(2,3)10-16(4,5)19-14(21)13(20)18-12-8-6-7-11(17)9-12/h6-9H,10H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 355.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108526239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).