[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate

C19H15ClN2O5 — CID 46627394

IUPAC[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate
SMILESCNC(=O)NC(=O)C(OC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1
InChIInChI=1S/C19H15ClN2O5/c1-21-19(25)22-17(23)16(11-5-3-2-4-6-11)27-18(24)15-10-12-9-13(20)7-8-14(12)26-15/h2-10,16H,1H3,(H2,21,22,23,25)
InChIKeyULTMLQINHHIOHX-UHFFFAOYSA-N
MW386.79 g/mol
LogP3.44
Rot. Bonds4

About [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate

[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate (PubChem CID 46627394) has the molecular formula C19H15ClN2O5 and a molecular weight of 386.79 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate
PubChem CID46627394
Molecular FormulaC19H15ClN2O5
Molecular Weight386.79 g/mol
Exact Mass386.07
IUPAC Name[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate
SMILESCNC(=O)NC(=O)C(OC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1
InChIInChI=1S/C19H15ClN2O5/c1-21-19(25)22-17(23)16(11-5-3-2-4-6-11)27-18(24)15-10-12-9-13(20)7-8-14(12)26-15/h2-10,16H,1H3,(H2,21,22,23,25)
InChIKeyULTMLQINHHIOHX-UHFFFAOYSA-N
XLogP3.44
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] naphthalene-2-carboxylate
CID 2674820
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 6-chloropyridine-3-carboxylate
CID 8017829
1-O-methyl 4-O-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] benzene-1,4-dicarboxylate
CID 7239688
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7832619
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-chlorophenoxy)acetate
CID 7804009
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7478175
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,5-dimethylbenzoate
CID 2674912
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8730505
5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9427401
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)benzoate
CID 9065111
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-fluoro-4-methoxybenzoate
CID 7523142
5-chloro-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1-benzofuran-2-carboxamide
CID 166227335

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate (CID 46627394) is [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate is CNC(=O)NC(=O)C(OC(=O)c1cc2cc(Cl)ccc2o1)c1ccccc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate?
The InChIKey is ULTMLQINHHIOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O5/c1-21-19(25)22-17(23)16(11-5-3-2-4-6-11)27-18(24)15-10-12-9-13(20)7-8-14(12)26-15/h2-10,16H,1H3,(H2,21,22,23,25).
What are the key properties of [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate?
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate has a molecular weight of 386.79 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-chloro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 46627394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).