methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate

C14H14FNO3 — CID 62810209

IUPACmethyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNc2ccc(F)c(C)c2)o1
InChIInChI=1S/C14H14FNO3/c1-9-7-10(3-5-12(9)15)16-8-11-4-6-13(19-11)14(17)18-2/h3-7,16H,8H2,1-2H3
InChIKeyKUKGFGLZOIMNJB-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.13
Rot. Bonds4

About methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate

methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate (PubChem CID 62810209) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate
PubChem CID62810209
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Namemethyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNc2ccc(F)c(C)c2)o1
InChIInChI=1S/C14H14FNO3/c1-9-7-10(3-5-12(9)15)16-8-11-4-6-13(19-11)14(17)18-2/h3-7,16H,8H2,1-2H3
InChIKeyKUKGFGLZOIMNJB-UHFFFAOYSA-N
XLogP3.13
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate
CID 43784013
methyl 5-[(3-iodo-4-methylanilino)methyl]furan-2-carboxylate
CID 43230346
N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62809873
methyl 5-[(3,5-dichloro-4-fluoroanilino)methyl]furan-2-carboxylate
CID 107572628
methyl 5-[(4-nitroanilino)methyl]furan-2-carboxylate
CID 43222339
methyl 5-[(5-bromofuran-2-yl)methylamino]-2-fluorobenzoate
CID 43715401
methyl 2-[(4-fluoro-3-methylanilino)methyl]benzoate
CID 62810538
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[[3-(methylcarbamoyl)anilino]methyl]furan-2-carboxylate
CID 43222502
methyl 5-[(3-methylsulfonylanilino)methyl]furan-2-carboxylate
CID 60699403
methyl 5-[[(6-fluoro-2-pyridinyl)amino]methyl]furan-2-carboxylate
CID 115628469
5-[(4-acetamido-3-methylanilino)methyl]furan-2-carboxylic acid
CID 63316911

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate (CID 62810209) is methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate is COC(=O)c1ccc(CNc2ccc(F)c(C)c2)o1.
What is the InChIKey of methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate?
The InChIKey is KUKGFGLZOIMNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-9-7-10(3-5-12(9)15)16-8-11-4-6-13(19-11)14(17)18-2/h3-7,16H,8H2,1-2H3.
What are the key properties of methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate?
methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate is sourced from PubChem (CID 62810209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).