[5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate

C18H14ClNO3 — CID 900055

IUPAC[5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H14ClNO3/c19-14-8-6-13(7-9-14)17-11-10-16(23-17)12-22-18(21)20-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,21)
InChIKeyDDKGVPXYRIKLEV-UHFFFAOYSA-N
MW327.77 g/mol
LogP5.35
Rot. Bonds4

About [5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate

[5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate (PubChem CID 900055) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is [5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate
PubChem CID900055
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name[5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H14ClNO3/c19-14-8-6-13(7-9-14)17-11-10-16(23-17)12-22-18(21)20-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,21)
InChIKeyDDKGVPXYRIKLEV-UHFFFAOYSA-N
XLogP5.35
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.77
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate?
The IUPAC name of [5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate (CID 900055) is [5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate.
What is the SMILES notation for [5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate?
The canonical SMILES for [5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate is O=C(Nc1ccccc1)OCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate?
The InChIKey is DDKGVPXYRIKLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c19-14-8-6-13(7-9-14)17-11-10-16(23-17)12-22-18(21)20-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,21).
What are the key properties of [5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate?
[5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate has a molecular weight of 327.77 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)furan-2-yl]methyl N-phenylcarbamate is sourced from PubChem (CID 900055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).