[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate

C14H12ClNO4 — CID 7486670

IUPAC[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NCc1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO4/c15-11-4-1-3-10(7-11)8-16-13(17)9-20-14(18)12-5-2-6-19-12/h1-7H,8-9H2,(H,16,17)
InChIKeyWFUXPIVJJBZLAE-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.41
Rot. Bonds5

About [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate (PubChem CID 7486670) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
PubChem CID7486670
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NCc1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO4/c15-11-4-1-3-10(7-11)8-16-13(17)9-20-14(18)12-5-2-6-19-12/h1-7H,8-9H2,(H,16,17)
InChIKeyWFUXPIVJJBZLAE-UHFFFAOYSA-N
XLogP2.41
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
CID 7514858
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193609
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 9454801
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2,5-difluorobenzoate
CID 50929815
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133481
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 8018219
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-nitrobenzoate
CID 7834709
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenoxybenzoate
CID 7700481
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 50929498
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 60708141

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate (CID 7486670) is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)NCc1cccc(Cl)c1.
What is the InChIKey of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
The InChIKey is WFUXPIVJJBZLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c15-11-4-1-3-10(7-11)8-16-13(17)9-20-14(18)12-5-2-6-19-12/h1-7H,8-9H2,(H,16,17).
What are the key properties of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate?
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate has a molecular weight of 293.71 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 7486670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).