N-[(4-bromophenyl)methyl]-N-methylformamide

C9H10BrNO — CID 23183715

IUPACN-[(4-bromophenyl)methyl]-N-methylformamide
SMILESCN(C=O)Cc1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c1-11(7-12)6-8-2-4-9(10)5-3-8/h2-5,7H,6H2,1H3
InChIKeySPLBSMQHGFHBSJ-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.04
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-N-methylformamide

N-[(4-bromophenyl)methyl]-N-methylformamide (PubChem CID 23183715) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methylformamide
PubChem CID23183715
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC NameN-[(4-bromophenyl)methyl]-N-methylformamide
SMILESCN(C=O)Cc1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c1-11(7-12)6-8-2-4-9(10)5-3-8/h2-5,7H,6H2,1H3
InChIKeySPLBSMQHGFHBSJ-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.04
H-Bond Donors ≤ 50
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)methyl]-N-methylformamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methylformamide (CID 23183715) is N-[(4-bromophenyl)methyl]-N-methylformamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methylformamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methylformamide is CN(C=O)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methylformamide?
The InChIKey is SPLBSMQHGFHBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-11(7-12)6-8-2-4-9(10)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methylformamide?
N-[(4-bromophenyl)methyl]-N-methylformamide has a molecular weight of 228.09 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methylformamide is sourced from PubChem (CID 23183715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).