[(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

C15H13BrFNO4 — CID 7899383

IUPAC[(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO4/c1-9(10-2-4-11(17)5-3-10)21-14(19)8-18-15(20)12-6-7-13(16)22-12/h2-7,9H,8H2,1H3,(H,18,20)/t9-/m0/s1
InChIKeyXMHQMUZVMMDBRD-VIFPVBQESA-N
MW370.17 g/mol
LogP3.22
Rot. Bonds5

About [(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

[(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (PubChem CID 7899383) has the molecular formula C15H13BrFNO4 and a molecular weight of 370.17 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
PubChem CID7899383
Molecular FormulaC15H13BrFNO4
Molecular Weight370.17 g/mol
Exact Mass369.00
IUPAC Name[(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO4/c1-9(10-2-4-11(17)5-3-10)21-14(19)8-18-15(20)12-6-7-13(16)22-12/h2-7,9H,8H2,1H3,(H,18,20)/t9-/m0/s1
InChIKeyXMHQMUZVMMDBRD-VIFPVBQESA-N
XLogP3.22
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 41453654
[(1R)-1-(4-fluorophenyl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7899184
2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883800
methyl (3S)-3-[(5-bromofuran-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate
CID 51967895
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7703284
[(1R)-1-(4-fluorophenyl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843387
2-(2-fluorophenyl)sulfanylethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899436
5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 7494653
[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate
CID 32915458
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (CID 7899383) is [(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is C[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(F)cc1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The InChIKey is XMHQMUZVMMDBRD-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13BrFNO4/c1-9(10-2-4-11(17)5-3-10)21-14(19)8-18-15(20)12-6-7-13(16)22-12/h2-7,9H,8H2,1H3,(H,18,20)/t9-/m0/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
[(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate has a molecular weight of 370.17 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 7899383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).