N-(2-bromo-2-phenylethyl)-2-methylbenzamide

C16H16BrNO — CID 114308218

IUPACN-(2-bromo-2-phenylethyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(Br)c1ccccc1
InChIInChI=1S/C16H16BrNO/c1-12-7-5-6-10-14(12)16(19)18-11-15(17)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3,(H,18,19)
InChIKeyHBAASWKXEPOKPZ-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.86
Rot. Bonds4

About N-(2-bromo-2-phenylethyl)-2-methylbenzamide

N-(2-bromo-2-phenylethyl)-2-methylbenzamide (PubChem CID 114308218) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(2-bromo-2-phenylethyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-2-phenylethyl)-2-methylbenzamide
PubChem CID114308218
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(2-bromo-2-phenylethyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(Br)c1ccccc1
InChIInChI=1S/C16H16BrNO/c1-12-7-5-6-10-14(12)16(19)18-11-15(17)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3,(H,18,19)
InChIKeyHBAASWKXEPOKPZ-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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)-2,4-dimethylbenzamide
CID 114308285
N-(2-bromo-2-phenylethyl)-2-methylfuran-3-carboxamide
CID 113274151
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477
N-(2-bromo-2-phenylethyl)-2-nitrobenzamide
CID 114308249
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2-methylbenzamide
CID 51165739
2-[[(2-methylbenzoyl)amino]methyl]butanoic acid
CID 65220541
2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751
N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
CID 114308255
N-(2-bromo-2-phenylethyl)-2,6-dihydroxybenzamide
CID 107691090
N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide
CID 114308227
N-[(2S)-2,3-diamino-3-oxopropyl]-2-methylbenzamide
CID 58987558
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-phenylethyl)-2-methylbenzamide?
The IUPAC name of N-(2-bromo-2-phenylethyl)-2-methylbenzamide (CID 114308218) is N-(2-bromo-2-phenylethyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-bromo-2-phenylethyl)-2-methylbenzamide?
The canonical SMILES for N-(2-bromo-2-phenylethyl)-2-methylbenzamide is Cc1ccccc1C(=O)NCC(Br)c1ccccc1.
What is the InChIKey of N-(2-bromo-2-phenylethyl)-2-methylbenzamide?
The InChIKey is HBAASWKXEPOKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-12-7-5-6-10-14(12)16(19)18-11-15(17)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-2-phenylethyl)-2-methylbenzamide?
N-(2-bromo-2-phenylethyl)-2-methylbenzamide has a molecular weight of 318.21 g/mol, XLogP of 3.86, 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-methylbenzamide is sourced from PubChem (CID 114308218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).