(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide

C10H10Cl3NO — CID 7385868

IUPAC(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
SMILESC[C@H](Cl)[C@@H](Cl)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H10Cl3NO/c1-6(11)9(13)10(15)14-8-4-2-3-7(12)5-8/h2-6,9H,1H3,(H,14,15)/t6-,9+/m0/s1
InChIKeyPHRJUUFQAZPKIY-IMTBSYHQSA-N
MW266.56 g/mol
LogP3.51
Rot. Bonds3

About (2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide

(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide (PubChem CID 7385868) has the molecular formula C10H10Cl3NO and a molecular weight of 266.56 g/mol. Its IUPAC name is (2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide.

Molecular Properties

Compound Name(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
PubChem CID7385868
Molecular FormulaC10H10Cl3NO
Molecular Weight266.56 g/mol
Exact Mass264.98
IUPAC Name(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
SMILESC[C@H](Cl)[C@@H](Cl)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H10Cl3NO/c1-6(11)9(13)10(15)14-8-4-2-3-7(12)5-8/h2-6,9H,1H3,(H,14,15)/t6-,9+/m0/s1
InChIKeyPHRJUUFQAZPKIY-IMTBSYHQSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.56
LogP ≤ 53.51
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

(2R,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide
CID 7385866
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
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
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
(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,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide?
The IUPAC name of (2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide (CID 7385868) is (2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide.
What is the SMILES notation for (2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide?
The canonical SMILES for (2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide is C[C@H](Cl)[C@@H](Cl)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide?
The InChIKey is PHRJUUFQAZPKIY-IMTBSYHQSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c1-6(11)9(13)10(15)14-8-4-2-3-7(12)5-8/h2-6,9H,1H3,(H,14,15)/t6-,9+/m0/s1.
What are the key properties of (2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide?
(2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide has a molecular weight of 266.56 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dichloro-N-(3-chlorophenyl)butanamide is sourced from PubChem (CID 7385868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).