N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide

C21H16BrNO3 — CID 56666975

IUPACN-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(Br)cc1)c1c(O)ccc2oc3ccccc3c12
InChIInChI=1S/C21H16BrNO3/c1-12(24)23-21(13-6-8-14(22)9-7-13)20-16(25)10-11-18-19(20)15-4-2-3-5-17(15)26-18/h2-11,21,25H,1H3,(H,23,24)
InChIKeyUMUKASLHCBXSIW-UHFFFAOYSA-N
MW410.27 g/mol
LogP5.28
Rot. Bonds3

About N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide

N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide (PubChem CID 56666975) has the molecular formula C21H16BrNO3 and a molecular weight of 410.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide
PubChem CID56666975
Molecular FormulaC21H16BrNO3
Molecular Weight410.27 g/mol
Exact Mass409.03
IUPAC NameN-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(Br)cc1)c1c(O)ccc2oc3ccccc3c12
InChIInChI=1S/C21H16BrNO3/c1-12(24)23-21(13-6-8-14(22)9-7-13)20-16(25)10-11-18-19(20)15-4-2-3-5-17(15)26-18/h2-11,21,25H,1H3,(H,23,24)
InChIKeyUMUKASLHCBXSIW-UHFFFAOYSA-N
XLogP5.28
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.27
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide?
The IUPAC name of N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide (CID 56666975) is N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide?
The canonical SMILES for N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide is CC(=O)NC(c1ccc(Br)cc1)c1c(O)ccc2oc3ccccc3c12.
What is the InChIKey of N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide?
The InChIKey is UMUKASLHCBXSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO3/c1-12(24)23-21(13-6-8-14(22)9-7-13)20-16(25)10-11-18-19(20)15-4-2-3-5-17(15)26-18/h2-11,21,25H,1H3,(H,23,24).
What are the key properties of N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide?
N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide has a molecular weight of 410.27 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(2-hydroxydibenzofuran-1-yl)methyl]acetamide is sourced from PubChem (CID 56666975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).