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

C16H15BrClNO — CID 47444944

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C16H15BrClNO/c1-11-4-2-3-5-12(11)8-16(20)19-10-13-6-7-14(17)9-15(13)18/h2-7,9H,8,10H2,1H3,(H,19,20)
InChIKeyREUWGEHYKCXNGR-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.27
Rot. Bonds4

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

N-[(4-bromo-2-chlorophenyl)methyl]-2-(2-methylphenyl)acetamide (PubChem CID 47444944) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-2-(2-methylphenyl)acetamide
PubChem CID47444944
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C16H15BrClNO/c1-11-4-2-3-5-12(11)8-16(20)19-10-13-6-7-14(17)9-15(13)18/h2-7,9H,8,10H2,1H3,(H,19,20)
InChIKeyREUWGEHYKCXNGR-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.27
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]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-2-(2-methylphenyl)acetamide (CID 47444944) is N-[(4-bromo-2-chlorophenyl)methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCc1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is REUWGEHYKCXNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-11-4-2-3-5-12(11)8-16(20)19-10-13-6-7-14(17)9-15(13)18/h2-7,9H,8,10H2,1H3,(H,19,20).
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-2-(2-methylphenyl)acetamide?
N-[(4-bromo-2-chlorophenyl)methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 352.66 g/mol, XLogP of 4.27, 4 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]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 47444944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).