N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide

C19H16F3NO4 — CID 95368202

IUPACN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)oc12
InChIInChI=1S/C19H16F3NO4/c1-26-15-4-2-3-12-9-16(27-17(12)15)18(25)23-10-14(24)11-5-7-13(8-6-11)19(20,21)22/h2-9,14,24H,10H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyAWOLOZYOOKXSMN-CQSZACIVSA-N
MW379.33 g/mol
LogP3.92
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 95368202) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID95368202
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC NameN-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)oc12
InChIInChI=1S/C19H16F3NO4/c1-26-15-4-2-3-12-9-16(27-17(12)15)18(25)23-10-14(24)11-5-7-13(8-6-11)19(20,21)22/h2-9,14,24H,10H2,1H3,(H,23,25)/t14-/m1/s1
InChIKeyAWOLOZYOOKXSMN-CQSZACIVSA-N
XLogP3.92
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 124727390
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722835
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 90581507
7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide
CID 56764219
7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43972317
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 90613307
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide
CID 90534721
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 71810493

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 95368202) is N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC[C@@H](O)c3ccc(C(F)(F)F)cc3)oc12.
What is the InChIKey of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is AWOLOZYOOKXSMN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16F3NO4/c1-26-15-4-2-3-12-9-16(27-17(12)15)18(25)23-10-14(24)11-5-7-13(8-6-11)19(20,21)22/h2-9,14,24H,10H2,1H3,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 379.33 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95368202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).