7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide

C17H13ClFNO3 — CID 111972025

IUPAC7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C17H13ClFNO3/c18-12-6-3-4-10-8-15(23-16(10)12)17(22)20-9-14(21)11-5-1-2-7-13(11)19/h1-8,14,21H,9H2,(H,20,22)
InChIKeyHGEXQXYWMIJRQD-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.69
Rot. Bonds4

About 7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide

7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide (PubChem CID 111972025) has the molecular formula C17H13ClFNO3 and a molecular weight of 333.75 g/mol. Its IUPAC name is 7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
PubChem CID111972025
Molecular FormulaC17H13ClFNO3
Molecular Weight333.75 g/mol
Exact Mass333.06
IUPAC Name7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C17H13ClFNO3/c18-12-6-3-4-10-8-15(23-16(10)12)17(22)20-9-14(21)11-5-1-2-7-13(11)19/h1-8,14,21H,9H2,(H,20,22)
InChIKeyHGEXQXYWMIJRQD-UHFFFAOYSA-N
XLogP3.69
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 111566061
7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 111972003
7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide
CID 111970426
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 111566262
(7-chloro-1-benzofuran-2-yl)-(2-chloro-3-fluorophenyl)methanol
CID 115837553
N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893726
3-(3-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 109478347
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 111565882
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide
CID 100724722

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide (CID 111972025) is 7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide is O=C(NCC(O)c1ccccc1F)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide?
The InChIKey is HGEXQXYWMIJRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3/c18-12-6-3-4-10-8-15(23-16(10)12)17(22)20-9-14(21)11-5-1-2-7-13(11)19/h1-8,14,21H,9H2,(H,20,22).
What are the key properties of 7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide?
7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide has a molecular weight of 333.75 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111972025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).