2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide

C17H17Br2NO — CID 2788217

IUPAC2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(Br)C(Br)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17Br2NO/c1-12(13-8-4-2-5-9-13)20-17(21)16(19)15(18)14-10-6-3-7-11-14/h2-12,15-16H,1H3,(H,20,21)
InChIKeyNCEFWYGCAXBQQH-UHFFFAOYSA-N
MW411.14 g/mol
LogP4.76
Rot. Bonds5

About 2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide

2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide (PubChem CID 2788217) has the molecular formula C17H17Br2NO and a molecular weight of 411.14 g/mol. Its IUPAC name is 2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide
PubChem CID2788217
Molecular FormulaC17H17Br2NO
Molecular Weight411.14 g/mol
Exact Mass408.97
IUPAC Name2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(Br)C(Br)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17Br2NO/c1-12(13-8-4-2-5-9-13)20-17(21)16(19)15(18)14-10-6-3-7-11-14/h2-12,15-16H,1H3,(H,20,21)
InChIKeyNCEFWYGCAXBQQH-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.14
LogP ≤ 54.76
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

(2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
CID 102438860
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
3-bromo-2-(bromomethyl)-N-[(1R)-1-phenylethyl]propanamide
CID 129088961
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-phenylacetamide
CID 81359115
(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide (CID 2788217) is 2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide is CC(NC(=O)C(Br)C(Br)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide?
The InChIKey is NCEFWYGCAXBQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO/c1-12(13-8-4-2-5-9-13)20-17(21)16(19)15(18)14-10-6-3-7-11-14/h2-12,15-16H,1H3,(H,20,21).
What are the key properties of 2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide?
2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide has a molecular weight of 411.14 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-3-phenyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 2788217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).