[2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate

C20H16FNO4 — CID 41259204

IUPAC[2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C20H16FNO4/c21-16-10-8-15(9-11-16)20(24)26-13-18(23)22-19(17-7-4-12-25-17)14-5-2-1-3-6-14/h1-12,19H,13H2,(H,22,23)/t19-/m0/s1
InChIKeyOXPYMCCGTPMLNQ-IBGZPJMESA-N
MW353.35 g/mol
LogP3.48
Rot. Bonds6

About [2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate

[2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate (PubChem CID 41259204) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is [2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate
PubChem CID41259204
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name[2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C20H16FNO4/c21-16-10-8-15(9-11-16)20(24)26-13-18(23)22-19(17-7-4-12-25-17)14-5-2-1-3-6-14/h1-12,19H,13H2,(H,22,23)/t19-/m0/s1
InChIKeyOXPYMCCGTPMLNQ-IBGZPJMESA-N
XLogP3.48
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 41259205
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
2-(4-benzoylphenoxy)-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928245
2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310
2-(2-cyanophenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 51202359
2-[(2-chlorophenyl)methoxy]-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55772590
N-[(R)-furan-2-yl(phenyl)methyl]-2-(2-phenylphenoxy)acetamide
CID 8928268
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
2-(4-chlorophenoxy)-N-[(S)-furan-2-yl(phenyl)methyl]acetamide
CID 8928209
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845501
[furan-2-yl(phenyl)methyl]urea
CID 14906081

Frequently Asked Questions

What is the IUPAC name of [2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate (CID 41259204) is [2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccco1.
What is the InChIKey of [2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is OXPYMCCGTPMLNQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16FNO4/c21-16-10-8-15(9-11-16)20(24)26-13-18(23)22-19(17-7-4-12-25-17)14-5-2-1-3-6-14/h1-12,19H,13H2,(H,22,23)/t19-/m0/s1.
What are the key properties of [2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate?
[2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 353.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 41259204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).