methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate

C20H19ClN2O3 — CID 71063330

IUPACmethyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate
SMILESCOC(=O)c1cc(NCc2ccccc2)c(Cl)cc1NCc1ccco1
InChIInChI=1S/C20H19ClN2O3/c1-25-20(24)16-10-19(22-12-14-6-3-2-4-7-14)17(21)11-18(16)23-13-15-8-5-9-26-15/h2-11,22-23H,12-13H2,1H3
InChIKeyAQYCSUBYZCFIQT-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.94
Rot. Bonds7

About methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate

methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate (PubChem CID 71063330) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate
PubChem CID71063330
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Namemethyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate
SMILESCOC(=O)c1cc(NCc2ccccc2)c(Cl)cc1NCc1ccco1
InChIInChI=1S/C20H19ClN2O3/c1-25-20(24)16-10-19(22-12-14-6-3-2-4-7-14)17(21)11-18(16)23-13-15-8-5-9-26-15/h2-11,22-23H,12-13H2,1H3
InChIKeyAQYCSUBYZCFIQT-UHFFFAOYSA-N
XLogP4.94
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)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

methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
2-methoxyethyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 118302031
4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid
CID 155452009
methanethioyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 87081207
(1-ethoxy-1-oxopropan-2-yl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate
CID 155796067
CID 68522905
CID 68522905
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150103
2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
CID 115877187
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224212
methyl 3-amino-2-(furan-2-ylmethylamino)benzoate
CID 112577605
methyl 2-fluoro-5-(furan-2-ylmethylamino)benzoate
CID 43715391
4-chloro-3-(furan-2-ylmethylamino)benzamide
CID 43679459

Frequently Asked Questions

What is the IUPAC name of methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate (CID 71063330) is methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate is COC(=O)c1cc(NCc2ccccc2)c(Cl)cc1NCc1ccco1.
What is the InChIKey of methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate?
The InChIKey is AQYCSUBYZCFIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-25-20(24)16-10-19(22-12-14-6-3-2-4-7-14)17(21)11-18(16)23-13-15-8-5-9-26-15/h2-11,22-23H,12-13H2,1H3.
What are the key properties of methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate?
methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate has a molecular weight of 370.84 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(benzylamino)-4-chloro-2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 71063330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).