N-(4-bromo-3-methylphenyl)formamide

C8H8BrNO — CID 64992573

IUPACN-(4-bromo-3-methylphenyl)formamide
SMILESCc1cc(NC=O)ccc1Br
InChIInChI=1S/C8H8BrNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-5H,1H3,(H,10,11)
InChIKeyRAWZFZSZGQIPOT-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.33
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)formamide

N-(4-bromo-3-methylphenyl)formamide (PubChem CID 64992573) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)formamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)formamide
PubChem CID64992573
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC NameN-(4-bromo-3-methylphenyl)formamide
SMILESCc1cc(NC=O)ccc1Br
InChIInChI=1S/C8H8BrNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-5H,1H3,(H,10,11)
InChIKeyRAWZFZSZGQIPOT-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-bromo-3-methylphenyl)formamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)formamide (CID 64992573) is N-(4-bromo-3-methylphenyl)formamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)formamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)formamide is Cc1cc(NC=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)formamide?
The InChIKey is RAWZFZSZGQIPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-5H,1H3,(H,10,11).
What are the key properties of N-(4-bromo-3-methylphenyl)formamide?
N-(4-bromo-3-methylphenyl)formamide has a molecular weight of 214.06 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)formamide is sourced from PubChem (CID 64992573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).