N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide

C17H18BrNO — CID 114308285

IUPACN-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(Br)c2ccccc2)c(C)c1
InChIInChI=1S/C17H18BrNO/c1-12-8-9-15(13(2)10-12)17(20)19-11-16(18)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,19,20)
InChIKeyPCPUFDINFNCDRC-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.17
Rot. Bonds4

About N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide

N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide (PubChem CID 114308285) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
PubChem CID114308285
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(Br)c2ccccc2)c(C)c1
InChIInChI=1S/C17H18BrNO/c1-12-8-9-15(13(2)10-12)17(20)19-11-16(18)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,19,20)
InChIKeyPCPUFDINFNCDRC-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-2-phenylethyl)-2-methylbenzamide
CID 114308218
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477
2-benzyl-3-[(2,4-dimethylbenzoyl)amino]propanoic acid
CID 119233647
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2,4-dimethylbenzamide
CID 90597947
2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694971
N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide
CID 113274151
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
CID 90622908
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751
N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
CID 114308255
2-hydroxy-4-methyl-N-(2-phenylpropyl)benzamide
CID 47098893

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide (CID 114308285) is N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(Br)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide?
The InChIKey is PCPUFDINFNCDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-8-9-15(13(2)10-12)17(20)19-11-16(18)14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide?
N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide has a molecular weight of 332.24 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 114308285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).