4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide

C14H15BrN2O2 — CID 43740112

IUPAC4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccc(Br)o2)c(C)c1
InChIInChI=1S/C14H15BrN2O2/c1-9-7-10(14(18)16-2)3-5-12(9)17-8-11-4-6-13(15)19-11/h3-7,17H,8H2,1-2H3,(H,16,18)
InChIKeyHQAVGVAIOLLWEI-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.32
Rot. Bonds4

About 4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide

4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide (PubChem CID 43740112) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide
PubChem CID43740112
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccc(Br)o2)c(C)c1
InChIInChI=1S/C14H15BrN2O2/c1-9-7-10(14(18)16-2)3-5-12(9)17-8-11-4-6-13(15)19-11/h3-7,17H,8H2,1-2H3,(H,16,18)
InChIKeyHQAVGVAIOLLWEI-UHFFFAOYSA-N
XLogP3.32
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740131
4-[(2,6-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 78997216
4-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbenzoic acid
CID 64578614
4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-N,3-dimethylbenzamide
CID 102833731
4-[(5-bromofuran-2-yl)methylamino]-2,5-dimethylphenol
CID 106953616
4-[(2,4-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 43740066
4-[2-(5-bromofuran-2-yl)ethylamino]-N-methyl-3-nitrobenzamide
CID 133375131
4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740076
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
4-chloro-3-[(5-ethylfuran-2-yl)methylamino]-N-methylbenzamide
CID 62345627
4-[(4,5-dibromofuran-2-yl)methylamino]-3-methylbenzamide
CID 62085907
4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide (CID 43740112) is 4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NCc2ccc(Br)o2)c(C)c1.
What is the InChIKey of 4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide?
The InChIKey is HQAVGVAIOLLWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-7-10(14(18)16-2)3-5-12(9)17-8-11-4-6-13(15)19-11/h3-7,17H,8H2,1-2H3,(H,16,18).
What are the key properties of 4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide?
4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide has a molecular weight of 323.19 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromofuran-2-yl)methylamino]-N,3-dimethylbenzamide is sourced from PubChem (CID 43740112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).