N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide

C16H18BrNO2 — CID 114311183

IUPACN-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NC(CBr)Cc1ccccc1
InChIInChI=1S/C16H18BrNO2/c17-12-14(11-13-5-2-1-3-6-13)18-16(19)9-8-15-7-4-10-20-15/h1-7,10,14H,8-9,11-12H2,(H,18,19)
InChIKeyKWWCOOBHIFGLCM-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.33
Rot. Bonds7

About N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide

N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide (PubChem CID 114311183) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide
PubChem CID114311183
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NC(CBr)Cc1ccccc1
InChIInChI=1S/C16H18BrNO2/c17-12-14(11-13-5-2-1-3-6-13)18-16(19)9-8-15-7-4-10-20-15/h1-7,10,14H,8-9,11-12H2,(H,18,19)
InChIKeyKWWCOOBHIFGLCM-UHFFFAOYSA-N
XLogP3.33
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
CID 114311192
3-[3-(furan-2-yl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218976
2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392
(2S)-5-amino-2-[3-(furan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 28779213
(2R)-2-(2-chlorophenyl)-2-[3-(furan-2-yl)propanoylamino]acetic acid
CID 107314642
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
2-[3-(furan-2-yl)propanoylamino]-3-methylpentanoic acid
CID 43183434
2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
CID 47035846
4-[3-(furan-2-carbonylamino)propanoylamino]-5-phenylpentanoic acid
CID 120547174
3-(furan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008392
N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide (CID 114311183) is N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)NC(CBr)Cc1ccccc1.
What is the InChIKey of N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide?
The InChIKey is KWWCOOBHIFGLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-12-14(11-13-5-2-1-3-6-13)18-16(19)9-8-15-7-4-10-20-15/h1-7,10,14H,8-9,11-12H2,(H,18,19).
What are the key properties of N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide?
N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide has a molecular weight of 336.23 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-phenylpropan-2-yl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 114311183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).