5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid

C20H18ClNO3 — CID 42750653

IUPAC5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C20H18ClNO3/c21-17-8-6-16(7-9-17)13-22(12-15-4-2-1-3-5-15)14-18-10-11-19(25-18)20(23)24/h1-11H,12-14H2,(H,23,24)
InChIKeyXMPBZPKNNGBXPT-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.83
Rot. Bonds7

About 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid

5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 42750653) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
PubChem CID42750653
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C20H18ClNO3/c21-17-8-6-16(7-9-17)13-22(12-15-4-2-1-3-5-15)14-18-10-11-19(25-18)20(23)24/h1-11H,12-14H2,(H,23,24)
InChIKeyXMPBZPKNNGBXPT-UHFFFAOYSA-N
XLogP4.83
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 3334338
ethyl 4-[5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 3376338
[5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 3680978
N-[(2S)-butan-2-yl]-5-[(dibenzylamino)methyl]furan-2-carboxamide
CID 7482215
[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934357
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
1-[5-[[benzyl(butyl)amino]methyl]furan-2-yl]ethanone
CID 162741048
5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750665
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 3944188
5-(4-phenylbutyl)furan-2-carboxylic acid
CID 86713049
N-benzyl-5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]furan-2-carboxamide
CID 42753762
5-[[benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 42753793

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid (CID 42750653) is 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is XMPBZPKNNGBXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c21-17-8-6-16(7-9-17)13-22(12-15-4-2-1-3-5-15)14-18-10-11-19(25-18)20(23)24/h1-11H,12-14H2,(H,23,24).
What are the key properties of 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid?
5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 355.82 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 42750653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).