4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide

C18H19Cl2NO2 — CID 2094963

IUPAC4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-13-11-16(20)8-9-17(13)23-10-2-3-18(22)21-12-14-4-6-15(19)7-5-14/h4-9,11H,2-3,10,12H2,1H3,(H,21,22)
InChIKeyQJWTVYLWYOKVMM-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.78
Rot. Bonds7

About 4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide

4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide (PubChem CID 2094963) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
PubChem CID2094963
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2NO2/c1-13-11-16(20)8-9-17(13)23-10-2-3-18(22)21-12-14-4-6-15(19)7-5-14/h4-9,11H,2-3,10,12H2,1H3,(H,21,22)
InChIKeyQJWTVYLWYOKVMM-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.78
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-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 4795998
ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]acetate
CID 4077817
4-(4-chloro-2-methylphenoxy)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 55797087
4-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-chloro-2-methylphenoxy)butanoylamino]propyl]butanamide
CID 4125851
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 84555813
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
4-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 18074478
7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
CID 39387148
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
CID 4248767
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide (CID 2094963) is 4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide is Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide?
The InChIKey is QJWTVYLWYOKVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-13-11-16(20)8-9-17(13)23-10-2-3-18(22)21-12-14-4-6-15(19)7-5-14/h4-9,11H,2-3,10,12H2,1H3,(H,21,22).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide?
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide has a molecular weight of 352.26 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide is sourced from PubChem (CID 2094963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).