methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate

C15H14ClNO3 — CID 43672704

IUPACmethyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
SMILESCOC(=O)c1cc(NCc2ccccc2O)ccc1Cl
InChIInChI=1S/C15H14ClNO3/c1-20-15(19)12-8-11(6-7-13(12)16)17-9-10-4-2-3-5-14(10)18/h2-8,17-18H,9H2,1H3
InChIKeyMJJSCDOHEXZJCW-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.44
Rot. Bonds4

About methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate

methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate (PubChem CID 43672704) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
PubChem CID43672704
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Namemethyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
SMILESCOC(=O)c1cc(NCc2ccccc2O)ccc1Cl
InChIInChI=1S/C15H14ClNO3/c1-20-15(19)12-8-11(6-7-13(12)16)17-9-10-4-2-3-5-14(10)18/h2-8,17-18H,9H2,1H3
InChIKeyMJJSCDOHEXZJCW-UHFFFAOYSA-N
XLogP3.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43715405
methyl 2-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272147
methyl 2-chloro-5-[(2,4-difluorophenyl)methylamino]benzoate
CID 43672668
methyl 2-[(4-chloro-3-cyanoanilino)methyl]benzoate
CID 43781729
2-[(3,4-dichloroanilino)methyl]phenol
CID 5078127
methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate
CID 38239137
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
methyl 5-[(2,4-dichlorophenyl)methylamino]-2-fluorobenzoate
CID 43715392
2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
methyl 2-[(4-fluoro-3-methylanilino)methyl]benzoate
CID 62810538
methyl 5-[(2,3-difluorophenyl)methylamino]-2-fluorobenzoate
CID 63667213

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate (CID 43672704) is methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate is COC(=O)c1cc(NCc2ccccc2O)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate?
The InChIKey is MJJSCDOHEXZJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-20-15(19)12-8-11(6-7-13(12)16)17-9-10-4-2-3-5-14(10)18/h2-8,17-18H,9H2,1H3.
What are the key properties of methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate?
methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate has a molecular weight of 291.73 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate is sourced from PubChem (CID 43672704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).