N-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide

C17H18BrNO — CID 974986

IUPACN-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)N(Cc1ccc(Br)cc1)c1cccc(C)c1C
InChIInChI=1S/C17H18BrNO/c1-12-5-4-6-17(13(12)2)19(14(3)20)11-15-7-9-16(18)10-8-15/h4-10H,11H2,1-3H3
InChIKeyIEUWANROMRCFOH-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.62
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide

N-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 974986) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID974986
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)N(Cc1ccc(Br)cc1)c1cccc(C)c1C
InChIInChI=1S/C17H18BrNO/c1-12-5-4-6-17(13(12)2)19(14(3)20)11-15-7-9-16(18)10-8-15/h4-10H,11H2,1-3H3
InChIKeyIEUWANROMRCFOH-UHFFFAOYSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide (CID 974986) is N-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide is CC(=O)N(Cc1ccc(Br)cc1)c1cccc(C)c1C.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is IEUWANROMRCFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-5-4-6-17(13(12)2)19(14(3)20)11-15-7-9-16(18)10-8-15/h4-10H,11H2,1-3H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide?
N-[(4-bromophenyl)methyl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 332.24 g/mol, XLogP of 4.62, 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-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 974986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).