2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide

C13H14BrN3O2 — CID 114278284

IUPAC2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide
SMILESCN(Cc1ccoc1)c1cc(C(N)=O)c(N)cc1Br
InChIInChI=1S/C13H14BrN3O2/c1-17(6-8-2-3-19-7-8)12-4-9(13(16)18)11(15)5-10(12)14/h2-5,7H,6,15H2,1H3,(H2,16,18)
InChIKeyZMSUUGIQWQGMRG-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.36
Rot. Bonds4

About 2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide

2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide (PubChem CID 114278284) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide
PubChem CID114278284
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide
SMILESCN(Cc1ccoc1)c1cc(C(N)=O)c(N)cc1Br
InChIInChI=1S/C13H14BrN3O2/c1-17(6-8-2-3-19-7-8)12-4-9(13(16)18)11(15)5-10(12)14/h2-5,7H,6,15H2,1H3,(H2,16,18)
InChIKeyZMSUUGIQWQGMRG-UHFFFAOYSA-N
XLogP2.36
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide
CID 114278338
1-[3-bromo-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
CID 62909222
4-chloro-2-[furan-3-ylmethyl(methyl)amino]benzenecarbothioamide
CID 63092480
4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
CID 82236923
3-bromo-8-N-(furan-3-ylmethyl)-8-N-methylquinoline-5,8-diamine
CID 106949132
2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62908366
2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
CID 63786210
4-[furan-3-ylmethyl(methyl)amino]-2-methylbenzenecarbothioamide
CID 81276396
4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide
CID 107281144
2-fluoro-4-[furan-3-ylmethyl(methyl)amino]benzoic acid
CID 115485376
1-N-(furan-3-ylmethyl)-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61422232
5-amino-4-bromo-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 114625431

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide?
The IUPAC name of 2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide (CID 114278284) is 2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide.
What is the SMILES notation for 2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide?
The canonical SMILES for 2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide is CN(Cc1ccoc1)c1cc(C(N)=O)c(N)cc1Br.
What is the InChIKey of 2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide?
The InChIKey is ZMSUUGIQWQGMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-17(6-8-2-3-19-7-8)12-4-9(13(16)18)11(15)5-10(12)14/h2-5,7H,6,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide?
2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide has a molecular weight of 324.18 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-5-[furan-3-ylmethyl(methyl)amino]benzamide is sourced from PubChem (CID 114278284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).