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

C17H13ClN2O4 — CID 137385556

IUPAC[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate
SMILESNC1=C(OC(=O)Nc2ccccc2)C(=O)C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H13ClN2O4/c18-11-8-6-10(7-9-11)14-13(21)15(16(19)23-14)24-17(22)20-12-4-2-1-3-5-12/h1-9,14H,19H2,(H,20,22)
InChIKeyWOQBDLZJPSKPQO-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.36
Rot. Bonds3

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

[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate (PubChem CID 137385556) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate
PubChem CID137385556
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate
SMILESNC1=C(OC(=O)Nc2ccccc2)C(=O)C(c2ccc(Cl)cc2)O1
InChIInChI=1S/C17H13ClN2O4/c18-11-8-6-10(7-9-11)14-13(21)15(16(19)23-14)24-17(22)20-12-4-2-1-3-5-12/h1-9,14H,19H2,(H,20,22)
InChIKeyWOQBDLZJPSKPQO-UHFFFAOYSA-N
XLogP3.36
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yloxy)-acetic acid methyl ester
CID 10617376
2-(7-Chloro-2-oxo-3-phenyl-1,2-dihydro-quinolin-4-yloxy)-acetamide
CID 10711401
7-Chloro-4-(2-oxo-propoxy)-3-phenyl-1H-quinolin-2-one
CID 10806148
N,2-bis(4-chlorophenyl)-2-ethoxyacetamide
CID 127037336
(2-Anilino-2-oxo-1-phenylethyl) 2-(4-chlorophenyl)acetate
CID 118256594
3-[4-[(4-Chloro-2-fluorophenyl)methoxycarbonylamino]phenyl]-2-propan-2-yloxypropanoic acid
CID 57719449
2-[(4-Chlorophenyl)carbamoyloxy]-2-(2-fluorophenyl)acetic acid
CID 69757975
[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate
CID 8664282
2-(2-Chlorophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 340981
2-(4-Chlorophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 341043
(R)-(4-chlorophenylcarbamoyloxy)phenylacetic acid
CID 12992874
Phenyl-(3-chlorophenylaminocarbonyloxy)-malonic acid diamide
CID 13361940

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate?
The IUPAC name of [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate (CID 137385556) is [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate.
What is the SMILES notation for [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate?
The canonical SMILES for [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate is NC1=C(OC(=O)Nc2ccccc2)C(=O)C(c2ccc(Cl)cc2)O1.
What is the InChIKey of [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate?
The InChIKey is WOQBDLZJPSKPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c18-11-8-6-10(7-9-11)14-13(21)15(16(19)23-14)24-17(22)20-12-4-2-1-3-5-12/h1-9,14H,19H2,(H,20,22).
What are the key properties of [2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate?
[2-amino-5-(4-chlorophenyl)-4-oxofuran-3-yl] N-phenylcarbamate has a molecular weight of 344.75 g/mol, XLogP of 3.36, 3 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-phenylcarbamate is sourced from PubChem (CID 137385556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).