methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate

C13H11Cl2NO3 — CID 60780204

IUPACmethyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NCc1ccc(Cl)o1
InChIInChI=1S/C13H11Cl2NO3/c1-18-13(17)10-4-2-8(14)6-11(10)16-7-9-3-5-12(15)19-9/h2-6,16H,7H2,1H3
InChIKeyYJQGNGBZJHAHTO-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.99
Rot. Bonds4

About methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate

methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate (PubChem CID 60780204) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate
PubChem CID60780204
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Namemethyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NCc1ccc(Cl)o1
InChIInChI=1S/C13H11Cl2NO3/c1-18-13(17)10-4-2-8(14)6-11(10)16-7-9-3-5-12(15)19-9/h2-6,16H,7H2,1H3
InChIKeyYJQGNGBZJHAHTO-UHFFFAOYSA-N
XLogP3.99
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-2-[(5-iodofuran-2-yl)methylamino]benzoate
CID 43780351
methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate
CID 60780928
methyl 4-chloro-2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841641
methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43230186
methyl 5-chloro-2-[(5-nitrofuran-2-yl)methylamino]benzoate
CID 43779971
methyl 4-chloro-2-(ethylsulfonylmethylamino)benzoate
CID 57198531
methyl 2-[(5-bromofuran-2-yl)methylamino]-4-fluorobenzoate
CID 43735182
methyl 4-chloro-2-(1H-pyrazol-5-ylmethylamino)benzoate
CID 43680666
methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate
CID 104821857
2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 43737640
methyl 4-chloro-2-[(5-chloro-1,3-thiazol-2-yl)methylamino]benzoate
CID 107123927
methyl 5-[(4-chloro-2-iodoanilino)methyl]-2-methylfuran-3-carboxylate
CID 107631953

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate?
The IUPAC name of methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate (CID 60780204) is methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate is COC(=O)c1ccc(Cl)cc1NCc1ccc(Cl)o1.
What is the InChIKey of methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate?
The InChIKey is YJQGNGBZJHAHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c1-18-13(17)10-4-2-8(14)6-11(10)16-7-9-3-5-12(15)19-9/h2-6,16H,7H2,1H3.
What are the key properties of methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate?
methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate has a molecular weight of 300.14 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate is sourced from PubChem (CID 60780204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).