N-(4-bromophenyl)formamide

C7H6BrNO — CID 17474

IUPACN-(4-bromophenyl)formamide
SMILESO=CNc1ccc(Br)cc1
InChIInChI=1S/C7H6BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-5H,(H,9,10)
InChIKeyPYHXNHQAVPSOKT-UHFFFAOYSA-N
MW200.04 g/mol
LogP2.02
Rot. Bonds2

About N-(4-bromophenyl)formamide

N-(4-bromophenyl)formamide (PubChem CID 17474) has the molecular formula C7H6BrNO and a molecular weight of 200.04 g/mol. Its IUPAC name is N-(4-bromophenyl)formamide.

Molecular Properties

Compound NameN-(4-bromophenyl)formamide
PubChem CID17474
Molecular FormulaC7H6BrNO
Molecular Weight200.04 g/mol
Exact Mass198.96
IUPAC NameN-(4-bromophenyl)formamide
SMILESO=CNc1ccc(Br)cc1
InChIInChI=1S/C7H6BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-5H,(H,9,10)
InChIKeyPYHXNHQAVPSOKT-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 52.02
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-bromophenyl)formamide?
The IUPAC name of N-(4-bromophenyl)formamide (CID 17474) is N-(4-bromophenyl)formamide.
What is the SMILES notation for N-(4-bromophenyl)formamide?
The canonical SMILES for N-(4-bromophenyl)formamide is O=CNc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)formamide?
The InChIKey is PYHXNHQAVPSOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-5H,(H,9,10).
What are the key properties of N-(4-bromophenyl)formamide?
N-(4-bromophenyl)formamide has a molecular weight of 200.04 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)formamide is sourced from PubChem (CID 17474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).