[5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate

C19H13ClFNO4 — CID 45277488

IUPAC[5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1ccccc1Cl)OCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H13ClFNO4/c20-15-7-3-1-5-13(15)18(23)22-19(24)25-11-12-9-10-17(26-12)14-6-2-4-8-16(14)21/h1-10H,11H2,(H,22,23,24)
InChIKeyRJPBMNWZYBWFOJ-UHFFFAOYSA-N
MW373.77 g/mol
LogP4.81
Rot. Bonds4

About [5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate

[5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate (PubChem CID 45277488) has the molecular formula C19H13ClFNO4 and a molecular weight of 373.77 g/mol. Its IUPAC name is [5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate.

Molecular Properties

Compound Name[5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate
PubChem CID45277488
Molecular FormulaC19H13ClFNO4
Molecular Weight373.77 g/mol
Exact Mass373.05
IUPAC Name[5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate
SMILESO=C(NC(=O)c1ccccc1Cl)OCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H13ClFNO4/c20-15-7-3-1-5-13(15)18(23)22-19(24)25-11-12-9-10-17(26-12)14-6-2-4-8-16(14)21/h1-10H,11H2,(H,22,23,24)
InChIKeyRJPBMNWZYBWFOJ-UHFFFAOYSA-N
XLogP4.81
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate?
The IUPAC name of [5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate (CID 45277488) is [5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate.
What is the SMILES notation for [5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate?
The canonical SMILES for [5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate is O=C(NC(=O)c1ccccc1Cl)OCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of [5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate?
The InChIKey is RJPBMNWZYBWFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO4/c20-15-7-3-1-5-13(15)18(23)22-19(24)25-11-12-9-10-17(26-12)14-6-2-4-8-16(14)21/h1-10H,11H2,(H,22,23,24).
What are the key properties of [5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate?
[5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate has a molecular weight of 373.77 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)furan-2-yl]methyl N-(2-chlorobenzoyl)carbamate is sourced from PubChem (CID 45277488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).