4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide

C18H19Cl2NO2 — CID 19191267

IUPAC4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2cc(Cl)ccc2C)ccc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-12-5-6-14(19)11-17(12)21-18(22)4-3-9-23-15-7-8-16(20)13(2)10-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyNPNDJMRTIYACFH-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.41
Rot. Bonds6

About 4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide

4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide (PubChem CID 19191267) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
PubChem CID19191267
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2cc(Cl)ccc2C)ccc1Cl
InChIInChI=1S/C18H19Cl2NO2/c1-12-5-6-14(19)11-17(12)21-18(22)4-3-9-23-15-7-8-16(20)13(2)10-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyNPNDJMRTIYACFH-UHFFFAOYSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.41
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-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 19191287
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 19191291
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
N-[(5-chloro-2-methylphenyl)carbamothioyl]-4-(4-chlorophenoxy)butanamide
CID 19188880
4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide
CID 55613294
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3550936
4-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2666592
4-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrazol-3-yl)butanamide
CID 51307640

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide (CID 19191267) is 4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide is Cc1cc(OCCCC(=O)Nc2cc(Cl)ccc2C)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide?
The InChIKey is NPNDJMRTIYACFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-12-5-6-14(19)11-17(12)21-18(22)4-3-9-23-15-7-8-16(20)13(2)10-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide has a molecular weight of 352.26 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide is sourced from PubChem (CID 19191267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).