methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate

C20H18ClNO3 — CID 4724267

IUPACmethyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(CNCc3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H18ClNO3/c1-24-20(23)15-8-6-14(7-9-15)19-11-10-17(25-19)13-22-12-16-4-2-3-5-18(16)21/h2-11,22H,12-13H2,1H3
InChIKeyGATUGWISHPHGLS-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.68
Rot. Bonds6

About methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate

methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate (PubChem CID 4724267) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate
PubChem CID4724267
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Namemethyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2ccc(CNCc3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H18ClNO3/c1-24-20(23)15-8-6-14(7-9-15)19-11-10-17(25-19)13-22-12-16-4-2-3-5-18(16)21/h2-11,22H,12-13H2,1H3
InChIKeyGATUGWISHPHGLS-UHFFFAOYSA-N
XLogP4.68
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate 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

(2-chlorophenyl)methyl-[[5-(4-methoxycarbonylphenyl)furan-2-yl]methyl]azanium
CID 8636553
methyl 4-[5-[[[(2S)-2-hydroxypropyl]amino]methyl]furan-2-yl]benzoate
CID 8636670
methyl 4-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332782
methyl 4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]benzoate;dihydrochloride
CID 17332913
3-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoic acid
CID 17212798
methyl 4-[5-[(hexylamino)methyl]furan-2-yl]benzoate
CID 4724301
methyl 4-[5-[(pyridin-4-ylmethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332875
methyl 4-[5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-yl]benzoate;hydrochloride
CID 17332933
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
methyl 4-[5-[[[(1R)-1-phenylethyl]amino]methyl]furan-2-yl]benzoate
CID 8636505
methyl 4-[5-[[[(2S)-oxolan-2-yl]methylamino]methyl]furan-2-yl]benzoate
CID 8636615
methyl 4-[5-[[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]methyl]furan-2-yl]benzoate
CID 8636916

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate?
The IUPAC name of methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate (CID 4724267) is methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate?
The canonical SMILES for methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate is COC(=O)c1ccc(-c2ccc(CNCc3ccccc3Cl)o2)cc1.
What is the InChIKey of methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate?
The InChIKey is GATUGWISHPHGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-24-20(23)15-8-6-14(7-9-15)19-11-10-17(25-19)13-22-12-16-4-2-3-5-18(16)21/h2-11,22H,12-13H2,1H3.
What are the key properties of methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate?
methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate has a molecular weight of 355.82 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[[(2-chlorophenyl)methylamino]methyl]furan-2-yl]benzoate is sourced from PubChem (CID 4724267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).