N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide

C17H18BrNO — CID 114311192

IUPACN-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(CBr)Cc1ccccc1
InChIInChI=1S/C17H18BrNO/c18-13-16(11-14-7-3-1-4-8-14)19-17(20)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)
InChIKeyYTOSCYJPTDLYBY-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.35
Rot. Bonds6

About N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide

N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide (PubChem CID 114311192) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
PubChem CID114311192
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(CBr)Cc1ccccc1
InChIInChI=1S/C17H18BrNO/c18-13-16(11-14-7-3-1-4-8-14)19-17(20)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)
InChIKeyYTOSCYJPTDLYBY-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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

5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
2-phenyl-N-[2-phenyl-1-[(2-phenylacetyl)amino]ethyl]acetamide
CID 71457306
N-(1-bromo-3-phenylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691100
N-(1-bromo-3-phenylpropan-2-yl)-2-hydroxybenzamide
CID 114311235
N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide
CID 114311183
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide
CID 118197578
N-(1-bromo-3-phenylpropan-2-yl)cycloheptanecarboxamide
CID 114311229
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
CID 67360770
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
2-phenyl-N-(2,2,2-tribromo-1-hydroxyethyl)acetamide
CID 117066138

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide?
The IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide (CID 114311192) is N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide is O=C(Cc1ccccc1)NC(CBr)Cc1ccccc1.
What is the InChIKey of N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide?
The InChIKey is YTOSCYJPTDLYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c18-13-16(11-14-7-3-1-4-8-14)19-17(20)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20).
What are the key properties of N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide?
N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide has a molecular weight of 332.24 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide is sourced from PubChem (CID 114311192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).