N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide

C12H14BrNO2 — CID 58467128

IUPACN-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide
SMILESO=CNC1(CO)CCc2c(Br)cccc2C1
InChIInChI=1S/C12H14BrNO2/c13-11-3-1-2-9-6-12(7-15,14-8-16)5-4-10(9)11/h1-3,8,15H,4-7H2,(H,14,16)
InChIKeyBHJGLRNPAFWIBI-UHFFFAOYSA-N
MW284.15 g/mol
LogP1.41
Rot. Bonds3

About N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide

N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide (PubChem CID 58467128) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide.

Molecular Properties

Compound NameN-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide
PubChem CID58467128
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide
SMILESO=CNC1(CO)CCc2c(Br)cccc2C1
InChIInChI=1S/C12H14BrNO2/c13-11-3-1-2-9-6-12(7-15,14-8-16)5-4-10(9)11/h1-3,8,15H,4-7H2,(H,14,16)
InChIKeyBHJGLRNPAFWIBI-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide?
The IUPAC name of N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide (CID 58467128) is N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide.
What is the SMILES notation for N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide?
The canonical SMILES for N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide is O=CNC1(CO)CCc2c(Br)cccc2C1.
What is the InChIKey of N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide?
The InChIKey is BHJGLRNPAFWIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-11-3-1-2-9-6-12(7-15,14-8-16)5-4-10(9)11/h1-3,8,15H,4-7H2,(H,14,16).
What are the key properties of N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide?
N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide has a molecular weight of 284.15 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]formamide is sourced from PubChem (CID 58467128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).