[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate

C15H13ClFNO4 — CID 7820560

IUPAC[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
SMILESC[C@@H](OC(=O)c1c(F)cccc1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C15H13ClFNO4/c1-9(14(19)18-8-10-4-3-7-21-10)22-15(20)13-11(16)5-2-6-12(13)17/h2-7,9H,8H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyGVUXFAACJWSPNC-SECBINFHSA-N
MW325.72 g/mol
LogP2.93
Rot. Bonds5

About [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate (PubChem CID 7820560) has the molecular formula C15H13ClFNO4 and a molecular weight of 325.72 g/mol. Its IUPAC name is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
PubChem CID7820560
Molecular FormulaC15H13ClFNO4
Molecular Weight325.72 g/mol
Exact Mass325.05
IUPAC Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
SMILESC[C@@H](OC(=O)c1c(F)cccc1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C15H13ClFNO4/c1-9(14(19)18-8-10-4-3-7-21-10)22-15(20)13-11(16)5-2-6-12(13)17/h2-7,9H,8H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyGVUXFAACJWSPNC-SECBINFHSA-N
XLogP2.93
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate with MolForge

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Related Compounds

[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
CID 7504051
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8651727
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 8013492
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 7724166
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
CID 8021648
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2500997
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate
CID 30699194
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
CID 2501072
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7377262
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507677
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8909333
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7478024

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate?
The IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate (CID 7820560) is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate?
The canonical SMILES for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate is C[C@@H](OC(=O)c1c(F)cccc1Cl)C(=O)NCc1ccco1.
What is the InChIKey of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate?
The InChIKey is GVUXFAACJWSPNC-SECBINFHSA-N. The full InChI is InChI=1S/C15H13ClFNO4/c1-9(14(19)18-8-10-4-3-7-21-10)22-15(20)13-11(16)5-2-6-12(13)17/h2-7,9H,8H2,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate?
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate has a molecular weight of 325.72 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 7820560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).