3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide

C13H12BrNO2 — CID 935017

IUPAC3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)cc1Br
InChIInChI=1S/C13H12BrNO2/c1-9-4-5-10(7-12(9)14)13(16)15-8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H,15,16)
InChIKeyGIVCCVDSSLCUQW-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.28
Rot. Bonds3

About 3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide

3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide (PubChem CID 935017) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
PubChem CID935017
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccco2)cc1Br
InChIInChI=1S/C13H12BrNO2/c1-9-4-5-10(7-12(9)14)13(16)15-8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H,15,16)
InChIKeyGIVCCVDSSLCUQW-UHFFFAOYSA-N
XLogP3.28
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109169271
3-acetamido-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 27244504
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 63333822
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974660
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 75486487

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide?
The IUPAC name of 3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide (CID 935017) is 3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccco2)cc1Br.
What is the InChIKey of 3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide?
The InChIKey is GIVCCVDSSLCUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-9-4-5-10(7-12(9)14)13(16)15-8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide?
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide has a molecular weight of 294.15 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 935017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).