7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide

C19H16F3NO4 — CID 56764219

IUPAC7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC(O)(c3ccccc3)C(F)(F)F)oc12
InChIInChI=1S/C19H16F3NO4/c1-26-14-9-5-6-12-10-15(27-16(12)14)17(24)23-11-18(25,19(20,21)22)13-7-3-2-4-8-13/h2-10,25H,11H2,1H3,(H,23,24)
InChIKeyWLFATKKBJPLSOX-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.62
Rot. Bonds5

About 7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide

7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 56764219) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is 7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide
PubChem CID56764219
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC Name7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC(O)(c3ccccc3)C(F)(F)F)oc12
InChIInChI=1S/C19H16F3NO4/c1-26-14-9-5-6-12-10-15(27-16(12)14)17(24)23-11-18(25,19(20,21)22)13-7-3-2-4-8-13/h2-10,25H,11H2,1H3,(H,23,24)
InChIKeyWLFATKKBJPLSOX-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 95367357
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 97428375
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95368202
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
2-(3,4-dimethoxyphenyl)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376510
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95982356
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 71781506
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 99809958
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide (CID 56764219) is 7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCC(O)(c3ccccc3)C(F)(F)F)oc12.
What is the InChIKey of 7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is WLFATKKBJPLSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO4/c1-26-14-9-5-6-12-10-15(27-16(12)14)17(24)23-11-18(25,19(20,21)22)13-7-3-2-4-8-13/h2-10,25H,11H2,1H3,(H,23,24).
What are the key properties of 7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide?
7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 379.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56764219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).