N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C23H19NO4 — CID 112766618

IUPACN-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C23H19NO4/c25-14-16-7-6-8-17(13-16)24-23(26)22-20(15-27-18-9-2-1-3-10-18)19-11-4-5-12-21(19)28-22/h1-13,25H,14-15H2,(H,24,26)
InChIKeyGBAWITSDDUSQDX-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.76
Rot. Bonds6

About N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 112766618) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID112766618
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC NameN-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C23H19NO4/c25-14-16-7-6-8-17(13-16)24-23(26)22-20(15-27-18-9-2-1-3-10-18)19-11-4-5-12-21(19)28-22/h1-13,25H,14-15H2,(H,24,26)
InChIKeyGBAWITSDDUSQDX-UHFFFAOYSA-N
XLogP4.76
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455
N-(3-acetamido-4-fluorophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 24656109
N-(4-methylsulfonylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18775166
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 39500037
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-(6-methyl-2-pyridinyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 39946412
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7962546
N-[3-(hydroxymethyl)phenyl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 112770851
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 34772261
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 112766618) is N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is O=C(Nc1cccc(CO)c1)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is GBAWITSDDUSQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-14-16-7-6-8-17(13-16)24-23(26)22-20(15-27-18-9-2-1-3-10-18)19-11-4-5-12-21(19)28-22/h1-13,25H,14-15H2,(H,24,26).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112766618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).