methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate

C13H11ClFNO3 — CID 60780928

IUPACmethyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NCc1ccc(Cl)o1
InChIInChI=1S/C13H11ClFNO3/c1-18-13(17)10-6-8(15)2-4-11(10)16-7-9-3-5-12(14)19-9/h2-6,16H,7H2,1H3
InChIKeyGMGZMWTWNFSRKB-UHFFFAOYSA-N
MW283.69 g/mol
LogP3.47
Rot. Bonds4

About methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate

methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate (PubChem CID 60780928) has the molecular formula C13H11ClFNO3 and a molecular weight of 283.69 g/mol. Its IUPAC name is methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate
PubChem CID60780928
Molecular FormulaC13H11ClFNO3
Molecular Weight283.69 g/mol
Exact Mass283.04
IUPAC Namemethyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NCc1ccc(Cl)o1
InChIInChI=1S/C13H11ClFNO3/c1-18-13(17)10-6-8(15)2-4-11(10)16-7-9-3-5-12(14)19-9/h2-6,16H,7H2,1H3
InChIKeyGMGZMWTWNFSRKB-UHFFFAOYSA-N
XLogP3.47
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-fluoro-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzoate
CID 64580738
methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate
CID 60780204
methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate
CID 43735453
methyl 2-[(5-bromofuran-2-yl)methylamino]-4-fluorobenzoate
CID 43735182
methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate
CID 43735444
methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate
CID 43735543
methyl 5-chloro-2-[(5-nitrofuran-2-yl)methylamino]benzoate
CID 43779971
methyl 5-[(2-chloro-4-fluoroanilino)methyl]furan-3-carboxylate
CID 104608171
methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81312860
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
methyl 5-fluoro-2-(octylamino)benzoate
CID 43735445
methyl 5-fluoro-2-[(3-methoxy-3-methylbutyl)amino]benzoate
CID 106675284

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate?
The IUPAC name of methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate (CID 60780928) is methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate.
What is the SMILES notation for methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate?
The canonical SMILES for methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate is COC(=O)c1cc(F)ccc1NCc1ccc(Cl)o1.
What is the InChIKey of methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate?
The InChIKey is GMGZMWTWNFSRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3/c1-18-13(17)10-6-8(15)2-4-11(10)16-7-9-3-5-12(14)19-9/h2-6,16H,7H2,1H3.
What are the key properties of methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate?
methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate has a molecular weight of 283.69 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate is sourced from PubChem (CID 60780928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).