[2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium

C21H22FN2O2+ — CID 9069417

IUPAC[2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccccc1CNC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H21FN2O2/c1-24(2)14-17-6-4-3-5-16(17)13-23-21(25)20-12-11-19(26-20)15-7-9-18(22)10-8-15/h3-12H,13-14H2,1-2H3,(H,23,25)/p+1
InChIKeyACBSBWHBABJFMU-UHFFFAOYSA-O
MW353.42 g/mol
LogP2.66
Rot. Bonds6

About [2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium

[2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 9069417) has the molecular formula C21H22FN2O2+ and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
PubChem CID9069417
Molecular FormulaC21H22FN2O2+
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name[2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
SMILESC[NH+](C)Cc1ccccc1CNC(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H21FN2O2/c1-24(2)14-17-6-4-3-5-16(17)13-23-21(25)20-12-11-19(26-20)15-7-9-18(22)10-8-15/h3-12H,13-14H2,1-2H3,(H,23,25)/p+1
InChIKeyACBSBWHBABJFMU-UHFFFAOYSA-O
XLogP2.66
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-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

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 8533422
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 2145634
N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 31969106
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
N-(3-amino-2-methylpropyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 119995910
5-(4-acetylphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 18119096
2-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065353
N-(2-amino-2-ethylbutyl)-5-(4-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119643079
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579

Frequently Asked Questions

What is the IUPAC name of [2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium (CID 9069417) is [2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium is C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of [2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is ACBSBWHBABJFMU-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H21FN2O2/c1-24(2)14-17-6-4-3-5-16(17)13-23-21(25)20-12-11-19(26-20)15-7-9-18(22)10-8-15/h3-12H,13-14H2,1-2H3,(H,23,25)/p+1.
What are the key properties of [2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium?
[2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 353.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[5-(4-fluorophenyl)furan-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 9069417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).