N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide

C13H11BrN2O3 — CID 47224195

IUPACN'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H11BrN2O3/c14-9-3-1-4-10(7-9)16-13(18)12(17)15-8-11-5-2-6-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyPWBPNAYGBHAEHE-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.30
Rot. Bonds3

About N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide

N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide (PubChem CID 47224195) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide
PubChem CID47224195
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC NameN'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H11BrN2O3/c14-9-3-1-4-10(7-9)16-13(18)12(17)15-8-11-5-2-6-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyPWBPNAYGBHAEHE-UHFFFAOYSA-N
XLogP2.30
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.30
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

1-N'-(3-bromophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974696
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453
(Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863478
4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54843018
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
N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide
CID 3148860
N'-(3-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]oxamide
CID 7584781
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
CID 568365
N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 3101332
N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
CID 108945142

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide (CID 47224195) is N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide is O=C(NCc1ccco1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide?
The InChIKey is PWBPNAYGBHAEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c14-9-3-1-4-10(7-9)16-13(18)12(17)15-8-11-5-2-6-19-11/h1-7H,8H2,(H,15,17)(H,16,18).
What are the key properties of N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide?
N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide has a molecular weight of 323.15 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 47224195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).