N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide

C17H15ClFNO3 — CID 110004473

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC(CO)c1ccc(Cl)cc1)C1Cc2cccc(F)c2O1
InChIInChI=1S/C17H15ClFNO3/c18-12-6-4-10(5-7-12)14(9-21)20-17(22)15-8-11-2-1-3-13(19)16(11)23-15/h1-7,14-15,21H,8-9H2,(H,20,22)
InChIKeyUTDUYJIRGBJNQK-UHFFFAOYSA-N
MW335.76 g/mol
LogP2.63
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 110004473) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID110004473
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC(CO)c1ccc(Cl)cc1)C1Cc2cccc(F)c2O1
InChIInChI=1S/C17H15ClFNO3/c18-12-6-4-10(5-7-12)14(9-21)20-17(22)15-8-11-2-1-3-13(19)16(11)23-15/h1-7,14-15,21H,8-9H2,(H,20,22)
InChIKeyUTDUYJIRGBJNQK-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18097915
5-chloro-N-[2-(methylamino)-2-oxo-1-phenylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 45833114
N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16382615
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17527485
US20240368109, Example C15
CID 172879013
5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16256274
N-[2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090724
5-chloro-N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 45852450
2,4-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090144
2,4-dichloro-N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090262
2-chloro-N-[(5,7-difluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46103218
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 72116778

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide (CID 110004473) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NC(CO)c1ccc(Cl)cc1)C1Cc2cccc(F)c2O1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is UTDUYJIRGBJNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c18-12-6-4-10(5-7-12)14(9-21)20-17(22)15-8-11-2-1-3-13(19)16(11)23-15/h1-7,14-15,21H,8-9H2,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 335.76 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-7-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110004473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).