2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide

C16H16ClNO2 — CID 107862713

IUPAC2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
SMILESO=C(N[C@H](CO)c1ccccc1)C(Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c17-15(13-9-5-2-6-10-13)16(20)18-14(11-19)12-7-3-1-4-8-12/h1-10,14-15,19H,11H2,(H,18,20)/t14-,15?/m1/s1
InChIKeyIHFREIVWQNAABY-GICMACPYSA-N
MW289.76 g/mol
LogP2.82
Rot. Bonds5

About 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide

2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide (PubChem CID 107862713) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
PubChem CID107862713
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
SMILESO=C(N[C@H](CO)c1ccccc1)C(Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c17-15(13-9-5-2-6-10-13)16(20)18-14(11-19)12-7-3-1-4-8-12/h1-10,14-15,19H,11H2,(H,18,20)/t14-,15?/m1/s1
InChIKeyIHFREIVWQNAABY-GICMACPYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenylpropanamide
CID 107863190
(2R)-2-benzyl-3-[(2R)-2-benzyl-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-oxopropyl]sulfinyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 70687323
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide (CID 107862713) is 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide is O=C(N[C@H](CO)c1ccccc1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide?
The InChIKey is IHFREIVWQNAABY-GICMACPYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-15(13-9-5-2-6-10-13)16(20)18-14(11-19)12-7-3-1-4-8-12/h1-10,14-15,19H,11H2,(H,18,20)/t14-,15?/m1/s1.
What are the key properties of 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide?
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide has a molecular weight of 289.76 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide is sourced from PubChem (CID 107862713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).