methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate

C15H16ClNO4 — CID 103243613

IUPACmethyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Nc2cc(OC)ccc2Cl)o1
InChIInChI=1S/C15H16ClNO4/c1-9(13-6-7-14(21-13)15(18)20-3)17-12-8-10(19-2)4-5-11(12)16/h4-9,17H,1-3H3
InChIKeyIKIHINCQQZIIPE-UHFFFAOYSA-N
MW309.75 g/mol
LogP3.90
Rot. Bonds5

About methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate

methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate (PubChem CID 103243613) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate
PubChem CID103243613
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Namemethyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)Nc2cc(OC)ccc2Cl)o1
InChIInChI=1S/C15H16ClNO4/c1-9(13-6-7-14(21-13)15(18)20-3)17-12-8-10(19-2)4-5-11(12)16/h4-9,17H,1-3H3
InChIKeyIKIHINCQQZIIPE-UHFFFAOYSA-N
XLogP3.90
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[1-(4-methoxy-2-methylanilino)ethyl]furan-2-carboxylate
CID 103249389
methyl 5-[1-(2,4-dichloroanilino)ethyl]furan-2-carboxylate
CID 103232280
methyl 5-[1-(2,5-difluoro-4-methylanilino)ethyl]furan-2-carboxylate
CID 103586415
methyl 5-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]furan-2-carboxylate
CID 107592927
5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid
CID 62206911
methyl 5-[1-(2-bromo-5-fluoroanilino)ethyl]furan-2-carboxylate
CID 107636665
methyl 5-[1-(2-bromo-4-fluoroanilino)ethyl]furan-2-carboxylate
CID 103236382
methyl 5-[1-(3-bromo-2-methylanilino)ethyl]furan-2-carboxylate
CID 107636489
methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate
CID 79084598
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
CID 55193327
methyl 5-[1-(2,6-dibromo-4-methylanilino)ethyl]furan-2-carboxylate
CID 103236832

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate (CID 103243613) is methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)Nc2cc(OC)ccc2Cl)o1.
What is the InChIKey of methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate?
The InChIKey is IKIHINCQQZIIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-9(13-6-7-14(21-13)15(18)20-3)17-12-8-10(19-2)4-5-11(12)16/h4-9,17H,1-3H3.
What are the key properties of methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate?
methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate has a molecular weight of 309.75 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate is sourced from PubChem (CID 103243613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).