[5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate

C19H12Cl3NO4 — CID 45277484

IUPAC[5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C19H12Cl3NO4/c20-12-4-1-3-11(9-12)16-8-7-13(27-16)10-26-19(25)23-18(24)17-14(21)5-2-6-15(17)22/h1-9H,10H2,(H,23,24,25)
InChIKeyPLGLIBNKZOLHDH-UHFFFAOYSA-N
MW424.67 g/mol
LogP5.97
Rot. Bonds4

About [5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate

[5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate (PubChem CID 45277484) has the molecular formula C19H12Cl3NO4 and a molecular weight of 424.67 g/mol. Its IUPAC name is [5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate.

Molecular Properties

Compound Name[5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate
PubChem CID45277484
Molecular FormulaC19H12Cl3NO4
Molecular Weight424.67 g/mol
Exact Mass422.98
IUPAC Name[5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C19H12Cl3NO4/c20-12-4-1-3-11(9-12)16-8-7-13(27-16)10-26-19(25)23-18(24)17-14(21)5-2-6-15(17)22/h1-9H,10H2,(H,23,24,25)
InChIKeyPLGLIBNKZOLHDH-UHFFFAOYSA-N
XLogP5.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate?
The IUPAC name of [5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate (CID 45277484) is [5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate.
What is the SMILES notation for [5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate?
The canonical SMILES for [5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate is O=C(NC(=O)c1c(Cl)cccc1Cl)OCc1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of [5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate?
The InChIKey is PLGLIBNKZOLHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3NO4/c20-12-4-1-3-11(9-12)16-8-7-13(27-16)10-26-19(25)23-18(24)17-14(21)5-2-6-15(17)22/h1-9H,10H2,(H,23,24,25).
What are the key properties of [5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate?
[5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate has a molecular weight of 424.67 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)furan-2-yl]methyl N-(2,6-dichlorobenzoyl)carbamate is sourced from PubChem (CID 45277484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).