N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide

C17H17NO3 — CID 107231658

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccc2c(c1)COC2
InChIInChI=1S/C17H17NO3/c19-9-13-3-1-12(2-4-13)8-18-17(20)14-5-6-15-10-21-11-16(15)7-14/h1-7,19H,8-11H2,(H,18,20)
InChIKeyQZSADOCFFRPXAD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.14
Rot. Bonds4

About N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 107231658) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID107231658
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccc2c(c1)COC2
InChIInChI=1S/C17H17NO3/c19-9-13-3-1-12(2-4-13)8-18-17(20)14-5-6-15-10-21-11-16(15)7-14/h1-7,19H,8-11H2,(H,18,20)
InChIKeyQZSADOCFFRPXAD-UHFFFAOYSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683
N-(2-chloroethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744532
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192019
N-[(3-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49164156
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103843199
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230293
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229542

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 107231658) is N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide is O=C(NCc1ccc(CO)cc1)c1ccc2c(c1)COC2.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is QZSADOCFFRPXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-9-13-3-1-12(2-4-13)8-18-17(20)14-5-6-15-10-21-11-16(15)7-14/h1-7,19H,8-11H2,(H,18,20).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 107231658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).