N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide

C17H16BrNO2 — CID 11221694

IUPACN-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide
SMILESCC(=O)N[C@H](c1ccccc1)[C@@H](Br)C(=O)c1ccccc1
InChIInChI=1S/C17H16BrNO2/c1-12(20)19-16(13-8-4-2-5-9-13)15(18)17(21)14-10-6-3-7-11-14/h2-11,15-16H,1H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyHFBSXCNJGGJNON-HZPDHXFCSA-N
MW346.22 g/mol
LogP3.51
Rot. Bonds5

About N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide

N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide (PubChem CID 11221694) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide
PubChem CID11221694
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide
SMILESCC(=O)N[C@H](c1ccccc1)[C@@H](Br)C(=O)c1ccccc1
InChIInChI=1S/C17H16BrNO2/c1-12(20)19-16(13-8-4-2-5-9-13)15(18)17(21)14-10-6-3-7-11-14/h2-11,15-16H,1H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyHFBSXCNJGGJNON-HZPDHXFCSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.51
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-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]-4-methylbenzenesulfonamide
CID 102280789
N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide
CID 129415662
(2S)-2-acetamido-3-oxo-3-phenylpropanoic acid
CID 70562426
N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide
CID 93494428
2-bromo-1,3,5-triphenylpentane-1,5-dione
CID 13250146
methyl (2S,3R)-3-acetamido-2-methyl-3-phenylpropanoate
CID 101468384
N-[(1R)-2-acetyl-3-oxo-1-phenylbutyl]benzamide
CID 11587624
2,3-dibromo-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 11974529
(2S)-2-(hydroxyamino)-1,2-diphenylethanone
CID 7016003
ethyl (2S,3S)-3-acetamido-2-methyl-3-phenylpropanoate
CID 70863317
propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-phenylpropanoate
CID 10956433
N-(2-hydroxy-3-oxo-1-phenylbutyl)benzamide
CID 71218694

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide (CID 11221694) is N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide is CC(=O)N[C@H](c1ccccc1)[C@@H](Br)C(=O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide?
The InChIKey is HFBSXCNJGGJNON-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-12(20)19-16(13-8-4-2-5-9-13)15(18)17(21)14-10-6-3-7-11-14/h2-11,15-16H,1H3,(H,19,20)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide?
N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide has a molecular weight of 346.22 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide is sourced from PubChem (CID 11221694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).