N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide

C10H10ClNO2 — CID 93494428

IUPACN-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide
SMILESCC(=O)N[C@@H](Cl)C(=O)c1ccccc1
InChIInChI=1S/C10H10ClNO2/c1-7(13)12-10(11)9(14)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,12,13)/t10-/m1/s1
InChIKeyKEBPJACCSMNODE-SNVBAGLBSA-N
MW211.65 g/mol
LogP1.57
Rot. Bonds3

About N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide

N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide (PubChem CID 93494428) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide
PubChem CID93494428
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC NameN-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide
SMILESCC(=O)N[C@@H](Cl)C(=O)c1ccccc1
InChIInChI=1S/C10H10ClNO2/c1-7(13)12-10(11)9(14)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,12,13)/t10-/m1/s1
InChIKeyKEBPJACCSMNODE-SNVBAGLBSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-[3-(dibenzylamino)-1-oxo-1-phenylpropan-2-yl]acetamide
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N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide
CID 11221694
N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)acetamide
CID 102237286
(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146
N-(1-benzylsulfanyl-2-oxo-2-phenylethyl)acetamide
CID 71832889
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
2-chloro-4-methyl-1-phenylpent-4-en-1-one
CID 14508132
N-hydroxy-2-methyl-3-oxo-3-phenylpropanamide
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CID 4277936

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide?
The IUPAC name of N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide (CID 93494428) is N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide?
The canonical SMILES for N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide is CC(=O)N[C@@H](Cl)C(=O)c1ccccc1.
What is the InChIKey of N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide?
The InChIKey is KEBPJACCSMNODE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-7(13)12-10(11)9(14)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,12,13)/t10-/m1/s1.
What are the key properties of N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide?
N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide has a molecular weight of 211.65 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide is sourced from PubChem (CID 93494428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).