5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

C17H15ClN2O5 — CID 163307290

IUPAC5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cc(Cl)cc2cc(C(=O)NCC(O)c3cccc(=O)[nH]3)oc12
InChIInChI=1S/C17H15ClN2O5/c1-24-13-7-10(18)5-9-6-14(25-16(9)13)17(23)19-8-12(21)11-3-2-4-15(22)20-11/h2-7,12,21H,8H2,1H3,(H,19,23)(H,20,22)
InChIKeyMBPBRWYNXVEUMI-UHFFFAOYSA-N
MW362.77 g/mol
LogP2.25
Rot. Bonds5

About 5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 163307290) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is 5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID163307290
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cc(Cl)cc2cc(C(=O)NCC(O)c3cccc(=O)[nH]3)oc12
InChIInChI=1S/C17H15ClN2O5/c1-24-13-7-10(18)5-9-6-14(25-16(9)13)17(23)19-8-12(21)11-3-2-4-15(22)20-11/h2-7,12,21H,8H2,1H3,(H,19,23)(H,20,22)
InChIKeyMBPBRWYNXVEUMI-UHFFFAOYSA-N
XLogP2.25
TPSA104.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 163304667
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone
CID 104666651
5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid
CID 2060035
(5-chloro-7-methoxy-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 104666670
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95368202
5-chloro-7-methoxy-1-benzofuran-2-carboxylate
CID 2060034
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 124727390
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-5-chloro-7-methoxy-1-benzofuran-2-carboxamide;hydrochloride
CID 172912161
7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 71810493
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 90613307

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 163307290) is 5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cc(Cl)cc2cc(C(=O)NCC(O)c3cccc(=O)[nH]3)oc12.
What is the InChIKey of 5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is MBPBRWYNXVEUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c1-24-13-7-10(18)5-9-6-14(25-16(9)13)17(23)19-8-12(21)11-3-2-4-15(22)20-11/h2-7,12,21H,8H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 362.77 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 163307290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).