N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide

C15H21BrN2O2 — CID 155669981

IUPACN-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide
SMILESCC(C)N(C(=O)C(=O)NCc1ccccc1Br)C(C)C
InChIInChI=1S/C15H21BrN2O2/c1-10(2)18(11(3)4)15(20)14(19)17-9-12-7-5-6-8-13(12)16/h5-8,10-11H,9H2,1-4H3,(H,17,19)
InChIKeyLVXODEZIEVOLFC-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.71
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide

N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide (PubChem CID 155669981) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide
PubChem CID155669981
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide
SMILESCC(C)N(C(=O)C(=O)NCc1ccccc1Br)C(C)C
InChIInChI=1S/C15H21BrN2O2/c1-10(2)18(11(3)4)15(20)14(19)17-9-12-7-5-6-8-13(12)16/h5-8,10-11H,9H2,1-4H3,(H,17,19)
InChIKeyLVXODEZIEVOLFC-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-(diethylamino)-N-(phenylmethyl)-
CID 969777
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
N-(2-bromobenzyl)acetamide
CID 2824953
1-[4-(2-Bromo-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 742528
N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156713
(2S)-2-[(4-bromobenzyl)amino]-N-(cyanomethyl)-4-methylpentanamide
CID 44403029
2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2503963
2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 2649393
N-(4-bromo-3-methylphenyl)-2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 4879603
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883221
(S)-2-[1-(4-Bromo-phenyl)-ethylamino]-4-methyl-pentanoic acid cyanomethyl-amide
CID 44403032
(2S)-2-[(2-bromophenyl)methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 71584673

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide (CID 155669981) is N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide is CC(C)N(C(=O)C(=O)NCc1ccccc1Br)C(C)C.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide?
The InChIKey is LVXODEZIEVOLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(2)18(11(3)4)15(20)14(19)17-9-12-7-5-6-8-13(12)16/h5-8,10-11H,9H2,1-4H3,(H,17,19).
What are the key properties of N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide?
N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide has a molecular weight of 341.25 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N',N'-di(propan-2-yl)oxamide is sourced from PubChem (CID 155669981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).