(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide

C16H13Cl4NO2 — CID 28573436

IUPAC(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl4NO2/c1-2-14(23-15-6-4-3-5-9(15)17)16(22)21-13-8-11(19)10(18)7-12(13)20/h3-8,14H,2H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyIICLVBTZAZJDJP-AWEZNQCLSA-N
MW393.10 g/mol
LogP6.10
Rot. Bonds5

About (2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide

(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide (PubChem CID 28573436) has the molecular formula C16H13Cl4NO2 and a molecular weight of 393.10 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
PubChem CID28573436
Molecular FormulaC16H13Cl4NO2
Molecular Weight393.10 g/mol
Exact Mass390.97
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H13Cl4NO2/c1-2-14(23-15-6-4-3-5-9(15)17)16(22)21-13-8-11(19)10(18)7-12(13)20/h3-8,14H,2H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyIICLVBTZAZJDJP-AWEZNQCLSA-N
XLogP6.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.10
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 94011805
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)butanamide
CID 30384530
2-[2-(2-chlorophenoxy)butanoylamino]benzamide
CID 53284900
(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 92647108
(2R)-2-(2-chlorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 94027219
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
(2R)-2-(2-chlorophenoxy)-N-(2,6-difluorophenyl)butanamide
CID 38002090
N-(3-chloro-4-fluorophenyl)-2-(2-chlorophenoxy)butanamide
CID 43905967
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide (CID 28573436) is (2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide is CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide?
The InChIKey is IICLVBTZAZJDJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13Cl4NO2/c1-2-14(23-15-6-4-3-5-9(15)17)16(22)21-13-8-11(19)10(18)7-12(13)20/h3-8,14H,2H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide?
(2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide has a molecular weight of 393.10 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide is sourced from PubChem (CID 28573436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).