4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide

C20H23Cl2NO2 — CID 19173834

IUPAC4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H23Cl2NO2/c1-20(2,3)14-6-9-16(10-7-14)25-12-4-5-19(24)23-15-8-11-17(21)18(22)13-15/h6-11,13H,4-5,12H2,1-3H3,(H,23,24)
InChIKeyQIRXMKKBHFCHAZ-UHFFFAOYSA-N
MW380.32 g/mol
LogP6.09
Rot. Bonds6

About 4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide

4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide (PubChem CID 19173834) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide
PubChem CID19173834
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC Name4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C20H23Cl2NO2/c1-20(2,3)14-6-9-16(10-7-14)25-12-4-5-19(24)23-15-8-11-17(21)18(22)13-15/h6-11,13H,4-5,12H2,1-3H3,(H,23,24)
InChIKeyQIRXMKKBHFCHAZ-UHFFFAOYSA-N
XLogP6.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylphenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]butanamide
CID 19188720
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
methyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173575
4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
CID 2677123
3-(4-tert-butylphenoxy)-N-(3-chlorophenyl)propanamide
CID 2408222
4-(4-tert-butylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 18229409
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 2634671
propyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173583
4-(4-tert-butylphenoxy)-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide
CID 7942434
4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 84553809

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide (CID 19173834) is 4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide is CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide?
The InChIKey is QIRXMKKBHFCHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-20(2,3)14-6-9-16(10-7-14)25-12-4-5-19(24)23-15-8-11-17(21)18(22)13-15/h6-11,13H,4-5,12H2,1-3H3,(H,23,24).
What are the key properties of 4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide?
4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide has a molecular weight of 380.32 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide is sourced from PubChem (CID 19173834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).