(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide

C11H12Cl3NO — CID 2118112

IUPAC(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESC[C@H](Cl)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO/c1-6(12)11(16)15-7(2)9-4-3-8(13)5-10(9)14/h3-7H,1-2H3,(H,15,16)/t6-,7-/m0/s1
InChIKeyLGSHJXQUNJYFNJ-BQBZGAKWSA-N
MW280.58 g/mol
LogP3.80
Rot. Bonds3

About (2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide

(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide (PubChem CID 2118112) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is (2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
PubChem CID2118112
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC Name(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
SMILESC[C@H](Cl)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO/c1-6(12)11(16)15-7(2)9-4-3-8(13)5-10(9)14/h3-7H,1-2H3,(H,15,16)/t6-,7-/m0/s1
InChIKeyLGSHJXQUNJYFNJ-BQBZGAKWSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 75981550
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
N-[1-(2,4-dichlorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43163867
2-(azetidin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 116674633
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide (CID 2118112) is (2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide is C[C@H](Cl)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide?
The InChIKey is LGSHJXQUNJYFNJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c1-6(12)11(16)15-7(2)9-4-3-8(13)5-10(9)14/h3-7H,1-2H3,(H,15,16)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide?
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide has a molecular weight of 280.58 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide is sourced from PubChem (CID 2118112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).