(2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride

C16H13Cl2NO2 — CID 124679301

IUPAC(2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride
SMILESO=C(Cl)[C@@H](N[C@@H](C(=O)Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13Cl2NO2/c17-15(20)13(11-7-3-1-4-8-11)19-14(16(18)21)12-9-5-2-6-10-12/h1-10,13-14,19H/t13-,14+
InChIKeyYXIVQOJLTVTNOC-OKILXGFUSA-N
MW322.19 g/mol
LogP3.59
Rot. Bonds6

About (2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride

(2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride (PubChem CID 124679301) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is (2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride.

Molecular Properties

Compound Name(2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride
PubChem CID124679301
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name(2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride
SMILESO=C(Cl)[C@@H](N[C@@H](C(=O)Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13Cl2NO2/c17-15(20)13(11-7-3-1-4-8-11)19-14(16(18)21)12-9-5-2-6-10-12/h1-10,13-14,19H/t13-,14+
InChIKeyYXIVQOJLTVTNOC-OKILXGFUSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-2-phenylacetyl chloride
CID 55280591
2-(chloroamino)-2-phenylacetamide
CID 89152727
2-(3-acetamidoanilino)-2-phenylacetyl chloride
CID 142788297
(2-chloro-2-oxo-1-phenylethyl)azanium chloride
CID 53420366
methyl 3-chloro-3-oxo-2-phenylpropanoate
CID 12726479
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
(1S)-1-(methylamino)-1-phenylpropan-2-one
CID 59960222
3-oxo-2-phenylbutanoyl chloride
CID 141413709
2-amino-2-phenylacetyl chloride;hydron;chloride
CID 51056098
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
(2S)-2-(hydroxyamino)-1,2-diphenylethanone
CID 7016003

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride?
The IUPAC name of (2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride (CID 124679301) is (2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride.
What is the SMILES notation for (2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride?
The canonical SMILES for (2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride is O=C(Cl)[C@@H](N[C@@H](C(=O)Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride?
The InChIKey is YXIVQOJLTVTNOC-OKILXGFUSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-15(20)13(11-7-3-1-4-8-11)19-14(16(18)21)12-9-5-2-6-10-12/h1-10,13-14,19H/t13-,14+.
What are the key properties of (2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride?
(2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride has a molecular weight of 322.19 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride is sourced from PubChem (CID 124679301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).