4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide

C13H11BrCl2N2O2 — CID 82794027

IUPAC4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
SMILESCN(Cc1ccc(Br)o1)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H11BrCl2N2O2/c1-18(6-8-2-3-11(14)20-8)13(19)7-4-9(15)12(17)10(16)5-7/h2-5H,6,17H2,1H3
InChIKeyCAFLWHRPJGCGJI-UHFFFAOYSA-N
MW378.05 g/mol
LogP4.20
Rot. Bonds3

About 4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide

4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide (PubChem CID 82794027) has the molecular formula C13H11BrCl2N2O2 and a molecular weight of 378.05 g/mol. Its IUPAC name is 4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
PubChem CID82794027
Molecular FormulaC13H11BrCl2N2O2
Molecular Weight378.05 g/mol
Exact Mass375.94
IUPAC Name4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
SMILESCN(Cc1ccc(Br)o1)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H11BrCl2N2O2/c1-18(6-8-2-3-11(14)20-8)13(19)7-4-9(15)12(17)10(16)5-7/h2-5H,6,17H2,1H3
InChIKeyCAFLWHRPJGCGJI-UHFFFAOYSA-N
XLogP4.20
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.05
LogP ≤ 54.20
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

3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide
CID 78868085
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109003
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729
N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
4-amino-3,5-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 82781126
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
CID 61108067
5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 81316878
4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82832639
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide
CID 18271169
4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 82833484

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide?
The IUPAC name of 4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide (CID 82794027) is 4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide?
The canonical SMILES for 4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide is CN(Cc1ccc(Br)o1)C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide?
The InChIKey is CAFLWHRPJGCGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O2/c1-18(6-8-2-3-11(14)20-8)13(19)7-4-9(15)12(17)10(16)5-7/h2-5H,6,17H2,1H3.
What are the key properties of 4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide?
4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide has a molecular weight of 378.05 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide is sourced from PubChem (CID 82794027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).