methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate

C14H13FN2O4 — CID 43784013

IUPACmethyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNc2ccc(F)c(C(N)=O)c2)o1
InChIInChI=1S/C14H13FN2O4/c1-20-14(19)12-5-3-9(21-12)7-17-8-2-4-11(15)10(6-8)13(16)18/h2-6,17H,7H2,1H3,(H2,16,18)
InChIKeyFULUCXKQWKVIGJ-UHFFFAOYSA-N
MW292.27 g/mol
LogP1.92
Rot. Bonds5

About methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate

methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate (PubChem CID 43784013) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate
PubChem CID43784013
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Namemethyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNc2ccc(F)c(C(N)=O)c2)o1
InChIInChI=1S/C14H13FN2O4/c1-20-14(19)12-5-3-9(21-12)7-17-8-2-4-11(15)10(6-8)13(16)18/h2-6,17H,7H2,1H3,(H2,16,18)
InChIKeyFULUCXKQWKVIGJ-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 5-[(4-fluoro-3-methylanilino)methyl]furan-2-carboxylate
CID 62810209
methyl 5-[(5-bromofuran-2-yl)methylamino]-2-fluorobenzoate
CID 43715401
methyl 5-[(3,5-dichloro-4-fluoroanilino)methyl]furan-2-carboxylate
CID 107572628
methyl 5-[(3-iodo-4-methylanilino)methyl]furan-2-carboxylate
CID 43230346
methyl 2-fluoro-5-(furan-2-ylmethylamino)benzoate
CID 43715391
methyl 5-[(4-nitroanilino)methyl]furan-2-carboxylate
CID 43222339
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
CID 66474208
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-[(4-bromo-3-fluorophenyl)methylamino]-2-fluorobenzoate
CID 79671769
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate (CID 43784013) is methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate is COC(=O)c1ccc(CNc2ccc(F)c(C(N)=O)c2)o1.
What is the InChIKey of methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate?
The InChIKey is FULUCXKQWKVIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-20-14(19)12-5-3-9(21-12)7-17-8-2-4-11(15)10(6-8)13(16)18/h2-6,17H,7H2,1H3,(H2,16,18).
What are the key properties of methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate?
methyl 5-[(3-carbamoyl-4-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 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate is sourced from PubChem (CID 43784013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).