N-[(4-bromo-2-chlorophenyl)methyl]acetamide

C9H9BrClNO — CID 47444975

IUPACN-[(4-bromo-2-chlorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C9H9BrClNO/c1-6(13)12-5-7-2-3-8(10)4-9(7)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeySIXHASRAURTWLM-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.74
Rot. Bonds2

About N-[(4-bromo-2-chlorophenyl)methyl]acetamide

N-[(4-bromo-2-chlorophenyl)methyl]acetamide (PubChem CID 47444975) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]acetamide
PubChem CID47444975
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C9H9BrClNO/c1-6(13)12-5-7-2-3-8(10)4-9(7)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeySIXHASRAURTWLM-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]acetamide?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]acetamide (CID 47444975) is N-[(4-bromo-2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]acetamide?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]acetamide is CC(=O)NCc1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]acetamide?
The InChIKey is SIXHASRAURTWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-6(13)12-5-7-2-3-8(10)4-9(7)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]acetamide?
N-[(4-bromo-2-chlorophenyl)methyl]acetamide has a molecular weight of 262.53 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 47444975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).