N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide

C19H16ClNO3 — CID 110885536

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1occc1-c1ccccc1
InChIInChI=1S/C19H16ClNO3/c20-15-8-6-14(7-9-15)17(22)12-21-19(23)18-16(10-11-24-18)13-4-2-1-3-5-13/h1-11,17,22H,12H2,(H,21,23)
InChIKeyKVZRJVQFPICBJI-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.06
Rot. Bonds5

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide (PubChem CID 110885536) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide
PubChem CID110885536
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1occc1-c1ccccc1
InChIInChI=1S/C19H16ClNO3/c20-15-8-6-14(7-9-15)17(22)12-21-19(23)18-16(10-11-24-18)13-4-2-1-3-5-13/h1-11,17,22H,12H2,(H,21,23)
InChIKeyKVZRJVQFPICBJI-UHFFFAOYSA-N
XLogP4.06
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide (CID 110885536) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide is O=C(NCC(O)c1ccc(Cl)cc1)c1occc1-c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide?
The InChIKey is KVZRJVQFPICBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c20-15-8-6-14(7-9-15)17(22)12-21-19(23)18-16(10-11-24-18)13-4-2-1-3-5-13/h1-11,17,22H,12H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide has a molecular weight of 341.79 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 110885536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).