3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide

C17H18BrNO — CID 71583388

IUPAC3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide
SMILESO=C(CCBr)Nc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C17H18BrNO/c18-13-12-17(20)19-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,6-7,12-13H2,(H,19,20)
InChIKeyJZVYJIBNBJFSFI-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.20
Rot. Bonds6

About 3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide

3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide (PubChem CID 71583388) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide
PubChem CID71583388
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide
SMILESO=C(CCBr)Nc1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C17H18BrNO/c18-13-12-17(20)19-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,6-7,12-13H2,(H,19,20)
InChIKeyJZVYJIBNBJFSFI-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.20
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-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
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N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
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3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
CID 119315336
4-(3-phenylpropanoylamino)benzoic acid
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N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
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N-(4-butylphenyl)-4-phenylbutanamide
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2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide?
The IUPAC name of 3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide (CID 71583388) is 3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide.
What is the SMILES notation for 3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide?
The canonical SMILES for 3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide is O=C(CCBr)Nc1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide?
The InChIKey is JZVYJIBNBJFSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c18-13-12-17(20)19-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,6-7,12-13H2,(H,19,20).
What are the key properties of 3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide?
3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide has a molecular weight of 332.24 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(2-phenylethyl)phenyl]propanamide is sourced from PubChem (CID 71583388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).