4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide

C17H16Cl2N2O4 — CID 2843072

IUPAC4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O4/c1-11-9-13(21(23)24)5-6-15(11)20-17(22)3-2-8-25-16-7-4-12(18)10-14(16)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,22)
InChIKeyXADZGYWKRLFBHO-UHFFFAOYSA-N
MW383.23 g/mol
LogP5.01
Rot. Bonds7

About 4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide

4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide (PubChem CID 2843072) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide
PubChem CID2843072
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC Name4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O4/c1-11-9-13(21(23)24)5-6-15(11)20-17(22)3-2-8-25-16-7-4-12(18)10-14(16)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,22)
InChIKeyXADZGYWKRLFBHO-UHFFFAOYSA-N
XLogP5.01
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.23
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(2,4-dichlorophenoxy)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]butanamide
CID 3247617
N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide
CID 19176295
4-(2,4-dichlorophenoxy)-N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]-4-nitrophenyl]butanamide
CID 5181794
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
(2S)-2-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7278991
N-[3-(2,4-dichlorophenoxy)propyl]-2-methyl-5-nitrobenzamide
CID 60599919
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
N-(4-chloro-2-methylphenyl)-4-(4-nitroanilino)butanamide
CID 36664825
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
N-(2,4-dichlorophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34744103
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide (CID 2843072) is 4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide?
The InChIKey is XADZGYWKRLFBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c1-11-9-13(21(23)24)5-6-15(11)20-17(22)3-2-8-25-16-7-4-12(18)10-14(16)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,22).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide has a molecular weight of 383.23 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide is sourced from PubChem (CID 2843072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).