(2S)-2-chloro-N-(3-chlorophenyl)propanamide

C9H9Cl2NO — CID 2404784

IUPAC(2S)-2-chloro-N-(3-chlorophenyl)propanamide
SMILESC[C@H](Cl)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c1-6(10)9(13)12-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,12,13)/t6-/m0/s1
InChIKeyRMICMLBMAQRUJI-LURJTMIESA-N
MW218.08 g/mol
LogP2.91
Rot. Bonds2

About (2S)-2-chloro-N-(3-chlorophenyl)propanamide

(2S)-2-chloro-N-(3-chlorophenyl)propanamide (PubChem CID 2404784) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is (2S)-2-chloro-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-(3-chlorophenyl)propanamide
PubChem CID2404784
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name(2S)-2-chloro-N-(3-chlorophenyl)propanamide
SMILESC[C@H](Cl)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C9H9Cl2NO/c1-6(10)9(13)12-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,12,13)/t6-/m0/s1
InChIKeyRMICMLBMAQRUJI-LURJTMIESA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.91
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

N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866
(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385868
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
3-(2-chloropropanoylamino)-N-methylbenzamide
CID 43244627
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
CID 119262061
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-(3-chlorophenyl)propanamide?
The IUPAC name of (2S)-2-chloro-N-(3-chlorophenyl)propanamide (CID 2404784) is (2S)-2-chloro-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-chloro-N-(3-chlorophenyl)propanamide?
The canonical SMILES for (2S)-2-chloro-N-(3-chlorophenyl)propanamide is C[C@H](Cl)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-2-chloro-N-(3-chlorophenyl)propanamide?
The InChIKey is RMICMLBMAQRUJI-LURJTMIESA-N. The full InChI is InChI=1S/C9H9Cl2NO/c1-6(10)9(13)12-8-4-2-3-7(11)5-8/h2-6H,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-chloro-N-(3-chlorophenyl)propanamide?
(2S)-2-chloro-N-(3-chlorophenyl)propanamide has a molecular weight of 218.08 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 2404784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).