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

C13H13BrN2O2 — CID 79714273

IUPAC2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H13BrN2O2/c1-16(8-10-3-2-6-18-10)13(17)11-5-4-9(14)7-12(11)15/h2-7H,8,15H2,1H3
InChIKeyTWPIQKQUZKJHCQ-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.90
Rot. Bonds3

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

2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide (PubChem CID 79714273) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
PubChem CID79714273
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C13H13BrN2O2/c1-16(8-10-3-2-6-18-10)13(17)11-5-4-9(14)7-12(11)15/h2-7H,8,15H2,1H3
InChIKeyTWPIQKQUZKJHCQ-UHFFFAOYSA-N
XLogP2.90
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 43526535
2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
CID 54878485
2-amino-4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 79720001
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 60629759
5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 114045921
2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112658891
N-(furan-2-ylmethyl)-1-hydroxy-N-methylnaphthalene-2-carboxamide
CID 43396704
1-(4-bromo-2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 82779411
2-amino-4-bromo-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 79723302

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide?
The IUPAC name of 2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide (CID 79714273) is 2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide is CN(Cc1ccco1)C(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide?
The InChIKey is TWPIQKQUZKJHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-16(8-10-3-2-6-18-10)13(17)11-5-4-9(14)7-12(11)15/h2-7H,8,15H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide?
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide has a molecular weight of 309.16 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 79714273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).