[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium

C15H18BrN2O2+ — CID 7692858

IUPAC[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
SMILESC[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C15H17BrN2O2/c1-18(2)13(14-4-3-9-20-14)10-17-15(19)11-5-7-12(16)8-6-11/h3-9,13H,10H2,1-2H3,(H,17,19)/p+1/t13-/m1/s1
InChIKeyPNNODXHEPQGAJL-CYBMUJFWSA-O
MW338.23 g/mol
LogP1.66
Rot. Bonds5

About [(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium

[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium (PubChem CID 7692858) has the molecular formula C15H18BrN2O2+ and a molecular weight of 338.23 g/mol. Its IUPAC name is [(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
PubChem CID7692858
Molecular FormulaC15H18BrN2O2+
Molecular Weight338.23 g/mol
Exact Mass337.05
IUPAC Name[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
SMILESC[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1)c1ccco1
InChIInChI=1S/C15H17BrN2O2/c1-18(2)13(14-4-3-9-20-14)10-17-15(19)11-5-7-12(16)8-6-11/h3-9,13H,10H2,1-2H3,(H,17,19)/p+1/t13-/m1/s1
InChIKeyPNNODXHEPQGAJL-CYBMUJFWSA-O
XLogP1.66
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2533073
[(1S)-1-(furan-2-yl)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]ethyl]-dimethylazanium
CID 9152013
[(1S)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2450333
[(1S)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501946
[(1R)-1-(furan-2-yl)-2-[(3-phenoxybenzoyl)amino]ethyl]-dimethylazanium
CID 8501948
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
[(1S)-1-(furan-2-yl)-2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]-dimethylazanium
CID 2449545
[(1S)-1-(furan-2-yl)-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]-dimethylazanium
CID 8019423
[(1S)-2-(1-benzofuran-2-carbonylamino)-1-(furan-2-yl)ethyl]-dimethylazanium
CID 7831812
[(1S)-2-[(4-bromobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium
CID 8795978
4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide
CID 9481980
[(1S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2481508

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium (CID 7692858) is [(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium is C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1)c1ccco1.
What is the InChIKey of [(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
The InChIKey is PNNODXHEPQGAJL-CYBMUJFWSA-O. The full InChI is InChI=1S/C15H17BrN2O2/c1-18(2)13(14-4-3-9-20-14)10-17-15(19)11-5-7-12(16)8-6-11/h3-9,13H,10H2,1-2H3,(H,17,19)/p+1/t13-/m1/s1.
What are the key properties of [(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium?
[(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium has a molecular weight of 338.23 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[(4-bromobenzoyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium is sourced from PubChem (CID 7692858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).