N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide

C14H13BrN2O3 — CID 2985453

IUPACN'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCc2ccco2)ccc1Br
InChIInChI=1S/C14H13BrN2O3/c1-9-7-10(4-5-12(9)15)17-14(19)13(18)16-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyILBJAXGIDGRUTQ-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.61
Rot. Bonds3

About N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide

N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide (PubChem CID 2985453) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
PubChem CID2985453
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC NameN'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCc2ccco2)ccc1Br
InChIInChI=1S/C14H13BrN2O3/c1-9-7-10(4-5-12(9)15)17-14(19)13(18)16-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyILBJAXGIDGRUTQ-UHFFFAOYSA-N
XLogP2.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.61
H-Bond Donors ≤ 52
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-(furan-2-ylmethyl)oxamide
CID 47224195
N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47148033
N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide
CID 3148860
N-(furan-2-ylmethyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584405
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide
CID 3154022
N-(furan-2-ylmethyl)-N'-(1H-indol-6-yl)oxamide
CID 39336216
ethyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 3122901
N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531641
1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974660
N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639566
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 63333822
N'-(4-bromo-3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520369

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide (CID 2985453) is N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide is Cc1cc(NC(=O)C(=O)NCc2ccco2)ccc1Br.
What is the InChIKey of N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide?
The InChIKey is ILBJAXGIDGRUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-9-7-10(4-5-12(9)15)17-14(19)13(18)16-8-11-3-2-6-20-11/h2-7H,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide?
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide has a molecular weight of 337.17 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 2985453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).