methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate

C15H13FINO2 — CID 71747269

IUPACmethyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate
SMILESCOC(=O)c1ccccc1NCc1ccc(F)cc1I
InChIInChI=1S/C15H13FINO2/c1-20-15(19)12-4-2-3-5-14(12)18-9-10-6-7-11(16)8-13(10)17/h2-8,18H,9H2,1H3
InChIKeyAVLCGFYUHRAPHP-UHFFFAOYSA-N
MW385.18 g/mol
LogP3.83
Rot. Bonds4

About methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate

methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate (PubChem CID 71747269) has the molecular formula C15H13FINO2 and a molecular weight of 385.18 g/mol. Its IUPAC name is methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate
PubChem CID71747269
Molecular FormulaC15H13FINO2
Molecular Weight385.18 g/mol
Exact Mass385.00
IUPAC Namemethyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate
SMILESCOC(=O)c1ccccc1NCc1ccc(F)cc1I
InChIInChI=1S/C15H13FINO2/c1-20-15(19)12-4-2-3-5-14(12)18-9-10-6-7-11(16)8-13(10)17/h2-8,18H,9H2,1H3
InChIKeyAVLCGFYUHRAPHP-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze methyl 2-[(4-fluoro-2-iodophenyl)methylamino]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-[(2-bromo-5-fluorophenyl)methylamino]benzoate
CID 71747092
methyl 3-[(4-fluoro-2-methylphenyl)methylamino]-2-methylbenzoate
CID 62134920
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
CID 43735149
methyl 2-[(2-bromo-5-fluoroanilino)methyl]benzoate
CID 107632975
ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate
CID 43312815
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
methyl 2-amino-3-[(2,5-difluorophenyl)methylamino]benzoate
CID 115546176
2-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 103256318
methyl 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37472105
methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate
CID 43735444
methyl 2-[(2-bromo-3-fluoro-4-pyridinyl)methylamino]benzoate
CID 166066421

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate?
The IUPAC name of methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate (CID 71747269) is methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate.
What is the SMILES notation for methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate?
The canonical SMILES for methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate is COC(=O)c1ccccc1NCc1ccc(F)cc1I.
What is the InChIKey of methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate?
The InChIKey is AVLCGFYUHRAPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FINO2/c1-20-15(19)12-4-2-3-5-14(12)18-9-10-6-7-11(16)8-13(10)17/h2-8,18H,9H2,1H3.
What are the key properties of methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate?
methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate has a molecular weight of 385.18 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate is sourced from PubChem (CID 71747269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).