4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide

C13H11Cl2N3O4S — CID 2844901

IUPAC4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C13H11Cl2N3O4S/c14-8-3-4-10(9(15)6-8)22-5-1-2-11(19)17-13-16-7-12(23-13)18(20)21/h3-4,6-7H,1-2,5H2,(H,16,17,19)
InChIKeyMOSTVNRKWSNBRO-UHFFFAOYSA-N
MW376.22 g/mol
LogP4.16
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide

4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide (PubChem CID 2844901) has the molecular formula C13H11Cl2N3O4S and a molecular weight of 376.22 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide
PubChem CID2844901
Molecular FormulaC13H11Cl2N3O4S
Molecular Weight376.22 g/mol
Exact Mass374.98
IUPAC Name4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C13H11Cl2N3O4S/c14-8-3-4-10(9(15)6-8)22-5-1-2-11(19)17-13-16-7-12(23-13)18(20)21/h3-4,6-7H,1-2,5H2,(H,16,17,19)
InChIKeyMOSTVNRKWSNBRO-UHFFFAOYSA-N
XLogP4.16
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetamide, 2-(2,4-dichlorophenoxy)-N-thiazol-2-yl-
CID 667798
2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide
CID 3148028
N-(5-nitro-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 2947324
2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 3152621
4-(3-chlorophenoxy)-N-(5-chlorothiazol-2-yl)butanamide
CID 155521142
4-(2-chlorophenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 49317486
4-(4-chlorophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 1565112
4-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 1788407
2-(2,4-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2725626
2-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3619772
4-(4-chloro-2-methylphenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide
CID 3148052
2-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 3152631

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide (CID 2844901) is 4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide?
The InChIKey is MOSTVNRKWSNBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O4S/c14-8-3-4-10(9(15)6-8)22-5-1-2-11(19)17-13-16-7-12(23-13)18(20)21/h3-4,6-7H,1-2,5H2,(H,16,17,19).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide?
4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide has a molecular weight of 376.22 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2844901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).