N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide

C15H13NO4 — CID 7996472

IUPACN-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(CO)cc1
InChIInChI=1S/C15H13NO4/c17-8-10-1-3-11(4-2-10)15(18)16-12-5-6-13-14(7-12)20-9-19-13/h1-7,17H,8-9H2,(H,16,18)
InChIKeyQFQILIDVAAGAOX-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.16
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide

N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide (PubChem CID 7996472) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide
PubChem CID7996472
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(CO)cc1
InChIInChI=1S/C15H13NO4/c17-8-10-1-3-11(4-2-10)15(18)16-12-5-6-13-14(7-12)20-9-19-13/h1-7,17H,8-9H2,(H,16,18)
InChIKeyQFQILIDVAAGAOX-UHFFFAOYSA-N
XLogP2.16
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid
CID 2554777
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
N-(1,3-benzodioxol-5-yl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2214195
2-(1,3-Benzodioxol-5-yl)-3-benzyl-3-hydroxy-1-isoindolinone
CID 2897943
N-1,3-Benzodioxol-5-yl-2-((2-chloroacetyl)amino)benzamide
CID 2393470
N-(3-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669571
N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 730782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
CID 732529
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)cyclohexanecarboxamide
CID 823577

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide (CID 7996472) is N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(CO)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide?
The InChIKey is QFQILIDVAAGAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-8-10-1-3-11(4-2-10)15(18)16-12-5-6-13-14(7-12)20-9-19-13/h1-7,17H,8-9H2,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide?
N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide has a molecular weight of 271.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)benzamide is sourced from PubChem (CID 7996472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).