methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate

C14H13FN2O4 — CID 43783764

IUPACmethyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNc1cc(C(N)=O)ccc1F
InChIInChI=1S/C14H13FN2O4/c1-20-14(19)12-9(4-5-21-12)7-17-11-6-8(13(16)18)2-3-10(11)15/h2-6,17H,7H2,1H3,(H2,16,18)
InChIKeyIWGSXPVLWXZICQ-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.92
Rot. Bonds5

About methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate

methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate (PubChem CID 43783764) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate
PubChem CID43783764
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Namemethyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNc1cc(C(N)=O)ccc1F
InChIInChI=1S/C14H13FN2O4/c1-20-14(19)12-9(4-5-21-12)7-17-11-6-8(13(16)18)2-3-10(11)15/h2-6,17H,7H2,1H3,(H2,16,18)
InChIKeyIWGSXPVLWXZICQ-UHFFFAOYSA-N
XLogP1.92
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate
CID 43759661
methyl 3-[(5-bromo-2,4-difluoroanilino)methyl]furan-2-carboxylate
CID 102853126
methyl 3-[(4-chloro-2-methylanilino)methyl]furan-2-carboxylate
CID 43766587
3-[(2-fluoro-5-methylanilino)methyl]furan-2-carboxylic acid
CID 103236587
methyl 3-[(2-methoxycarbonylanilino)methyl]furan-2-carboxylate
CID 43774551
methyl 3-[(2-ethylanilino)methyl]furan-2-carboxylate
CID 43425518
methyl 3-[(4-hydroxy-2,5-dimethylanilino)methyl]furan-2-carboxylate
CID 106954118
methyl 3-[(2-cyanoanilino)methyl]furan-2-carboxylate
CID 43425461
methyl 3-[(2-chloro-4,6-difluoroanilino)methyl]furan-2-carboxylate
CID 83081479
4-fluoro-3-[(3-fluoro-2-hydroxyphenyl)methylamino]benzamide
CID 115951237
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304
methyl 3-[(2,5-dimethylphenyl)methylamino]-4-fluorobenzoate
CID 60728602

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate (CID 43783764) is methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate is COC(=O)c1occc1CNc1cc(C(N)=O)ccc1F.
What is the InChIKey of methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate?
The InChIKey is IWGSXPVLWXZICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-20-14(19)12-9(4-5-21-12)7-17-11-6-8(13(16)18)2-3-10(11)15/h2-6,17H,7H2,1H3,(H2,16,18).
What are the key properties of methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate?
methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate has a molecular weight of 292.27 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43783764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).