methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate

C14H14ClNO4 — CID 107272142

IUPACmethyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNc2ccc(Cl)c(OC)c2)c1
InChIInChI=1S/C14H14ClNO4/c1-18-13-6-10(3-4-12(13)15)16-7-11-5-9(8-20-11)14(17)19-2/h3-6,8,16H,7H2,1-2H3
InChIKeyLROPNSOJQNZNEQ-UHFFFAOYSA-N
MW295.72 g/mol
LogP3.34
Rot. Bonds5

About methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate

methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate (PubChem CID 107272142) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate
PubChem CID107272142
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Namemethyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNc2ccc(Cl)c(OC)c2)c1
InChIInChI=1S/C14H14ClNO4/c1-18-13-6-10(3-4-12(13)15)16-7-11-5-9(8-20-11)14(17)19-2/h3-6,8,16H,7H2,1-2H3
InChIKeyLROPNSOJQNZNEQ-UHFFFAOYSA-N
XLogP3.34
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(3-chloro-4-methoxyanilino)methyl]furan-3-carboxylate
CID 104585623
methyl 5-[(3-chloro-4-cyanoanilino)methyl]furan-3-carboxylate
CID 104608199
methyl 4-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272146
4-[(4-methoxycarbonylfuran-2-yl)methylamino]benzoic acid
CID 104608179
methyl 5-[(3,4-dicyanoanilino)methyl]furan-3-carboxylate
CID 107788621
methyl 5-[(1-benzothiophen-5-ylamino)methyl]furan-3-carboxylate
CID 104586668
methyl 5-[(4-sulfamoylanilino)methyl]furan-3-carboxylate
CID 104607981
methyl 5-[[(6-fluoro-3-pyridinyl)amino]methyl]furan-3-carboxylate
CID 104586718
methyl 5-[(2-chloro-4-fluoroanilino)methyl]furan-3-carboxylate
CID 104608171
methyl 2-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272147
methyl 5-[(3-ethynylanilino)methyl]furan-3-carboxylate
CID 104607899
5-[(3-chloro-4-methylanilino)methyl]furan-3-carboxylic acid
CID 113432410

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate (CID 107272142) is methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate is COC(=O)c1coc(CNc2ccc(Cl)c(OC)c2)c1.
What is the InChIKey of methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate?
The InChIKey is LROPNSOJQNZNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c1-18-13-6-10(3-4-12(13)15)16-7-11-5-9(8-20-11)14(17)19-2/h3-6,8,16H,7H2,1-2H3.
What are the key properties of methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate?
methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate has a molecular weight of 295.72 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-chloro-3-methoxyanilino)methyl]furan-3-carboxylate is sourced from PubChem (CID 107272142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).