[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate

C18H15ClN2O4 — CID 137385076

IUPAC[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate
SMILESNC1=C(OC(=O)NCc2ccccc2)C(=O)C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C18H15ClN2O4/c19-13-8-6-12(7-9-13)15-14(22)16(17(20)24-15)25-18(23)21-10-11-4-2-1-3-5-11/h1-9,15H,10,20H2,(H,21,23)
InChIKeySOSDMXIZTIDGPP-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.03
Rot. Bonds4

About [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate

[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate (PubChem CID 137385076) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate
PubChem CID137385076
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate
SMILESNC1=C(OC(=O)NCc2ccccc2)C(=O)C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C18H15ClN2O4/c19-13-8-6-12(7-9-13)15-14(22)16(17(20)24-15)25-18(23)21-10-11-4-2-1-3-5-11/h1-9,15H,10,20H2,(H,21,23)
InChIKeySOSDMXIZTIDGPP-UHFFFAOYSA-N
XLogP3.03
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-Chlorophenyl)methylamino]-2-oxo-1-phenylethyl] acetate
CID 17977285
Benzyl 4-(4-chlorophenyl)-4-[(4,4-dimethyl-3-oxopentan-2-yl)oxycarbonylamino]butanoate
CID 67328003
O-[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamothioate
CID 73504774
[2-Amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] benzyl carbonate
CID 73504775
[2-Benzamido-5-(4-chlorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 118262110
[2-(Benzylamino)-1-(4-chlorophenyl)-2-oxoethyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 122607102
[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate
CID 137385556
[5-(4-Chlorophenyl)-5-(ethoxycarbonylamino)-2-methyl-4-oxofuran-3-yl] acetate
CID 140681888
(2S)-2-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)acetate
CID 6933877
(2R)-2-(4-chlorophenyl)-2-(phenylmethoxycarbonylamino)acetate
CID 6933879
[2-(4-Chlorophenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
CID 32958673
[1-(4-Chlorophenyl)-1-oxopropan-2-yl] 4-[(carbamoylamino)methyl]benzoate
CID 55338943

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate?
The IUPAC name of [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate (CID 137385076) is [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate.
What is the SMILES notation for [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate?
The canonical SMILES for [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate is NC1=C(OC(=O)NCc2ccccc2)C(=O)C(c2ccc(Cl)cc2)O1.
What is the InChIKey of [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate?
The InChIKey is SOSDMXIZTIDGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c19-13-8-6-12(7-9-13)15-14(22)16(17(20)24-15)25-18(23)21-10-11-4-2-1-3-5-11/h1-9,15H,10,20H2,(H,21,23).
What are the key properties of [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate?
[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate has a molecular weight of 358.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-benzylcarbamate is sourced from PubChem (CID 137385076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).