N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide

C16H16BrNO — CID 114310172

IUPACN-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCBr)cc1
InChIInChI=1S/C16H16BrNO/c17-11-10-13-6-8-15(9-7-13)18-16(19)12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)
InChIKeyPVPUIZSDFJCMJV-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.81
Rot. Bonds5

About N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide

N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide (PubChem CID 114310172) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
PubChem CID114310172
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCBr)cc1
InChIInChI=1S/C16H16BrNO/c17-11-10-13-6-8-15(9-7-13)18-16(19)12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19)
InChIKeyPVPUIZSDFJCMJV-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.81
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

3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide
CID 71583388
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114310214
N-[4-(2-bromoethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310266
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
N-[4-(2-bromoethyl)phenyl]-3,3-dimethylbutanamide
CID 114310364
N-[4-(2-oxo-4-phenylbutyl)phenyl]propanamide
CID 157140681
N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide
CID 166633000

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide (CID 114310172) is N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(CCBr)cc1.
What is the InChIKey of N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide?
The InChIKey is PVPUIZSDFJCMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-11-10-13-6-8-15(9-7-13)18-16(19)12-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,18,19).
What are the key properties of N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide?
N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide has a molecular weight of 318.21 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 114310172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).