(2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide

C11H11Cl2NO2 — CID 125485524

IUPAC(2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide
SMILESC[C@H](Cl)C(=O)NCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11Cl2NO2/c1-7(12)11(16)14-6-10(15)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyYBFYIUODODMGJK-ZETCQYMHSA-N
MW260.12 g/mol
LogP2.27
Rot. Bonds4

About (2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide

(2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide (PubChem CID 125485524) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is (2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide
PubChem CID125485524
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name(2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide
SMILESC[C@H](Cl)C(=O)NCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11Cl2NO2/c1-7(12)11(16)14-6-10(15)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,16)/t7-/m0/s1
InChIKeyYBFYIUODODMGJK-ZETCQYMHSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.27
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-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethylbutanamide
CID 94278694
2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 94266974
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-ethoxyacetamide
CID 21290714
(2R,3R)-2-[(3-chloro-4-isocyano-2-methylphenyl)methyl]-N-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxybutanamide
CID 58433633
2-chloro-N-[2-(4-chlorophenyl)acetyl]propanamide
CID 163857832
4-chloro-N-[2-oxo-2-(4-phenylphenyl)ethyl]benzamide
CID 732485
4-chloro-N-[1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 112767742
N-[2-(2-chloropropanoylamino)ethyl]-4-methylbenzamide
CID 54880790
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 95151348
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
N-[4-(2-aminoacetyl)phenyl]-2-chloropropanamide
CID 170860591
(2S)-4-(4-chlorophenyl)-2-methyl-4-oxobutanoate
CID 7010070

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide?
The IUPAC name of (2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide (CID 125485524) is (2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide is C[C@H](Cl)C(=O)NCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide?
The InChIKey is YBFYIUODODMGJK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-7(12)11(16)14-6-10(15)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,16)/t7-/m0/s1.
What are the key properties of (2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide?
(2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide has a molecular weight of 260.12 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]propanamide is sourced from PubChem (CID 125485524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).