2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide

C16H16BrNO — CID 821124

IUPAC2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO/c1-12-2-4-14(5-3-12)11-18-16(19)10-13-6-8-15(17)9-7-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyRTAWYMWRXOETNZ-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.62
Rot. Bonds4

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

2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 821124) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID821124
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO/c1-12-2-4-14(5-3-12)11-18-16(19)10-13-6-8-15(17)9-7-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyRTAWYMWRXOETNZ-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide (CID 821124) is 2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is RTAWYMWRXOETNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-12-2-4-14(5-3-12)11-18-16(19)10-13-6-8-15(17)9-7-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide?
2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 318.21 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 821124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).