4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide

C18H16Cl2F3NO2 — CID 19191291

IUPAC4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
SMILESCc1cc(OCCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1Cl
InChIInChI=1S/C18H16Cl2F3NO2/c1-11-9-13(5-7-14(11)19)26-8-2-3-17(25)24-16-10-12(18(21,22)23)4-6-15(16)20/h4-7,9-10H,2-3,8H2,1H3,(H,24,25)
InChIKeyPEVJDLJFMCURLI-UHFFFAOYSA-N
MW406.23 g/mol
LogP6.12
Rot. Bonds6

About 4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide

4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 19191291) has the molecular formula C18H16Cl2F3NO2 and a molecular weight of 406.23 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
PubChem CID19191291
Molecular FormulaC18H16Cl2F3NO2
Molecular Weight406.23 g/mol
Exact Mass405.05
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
SMILESCc1cc(OCCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1Cl
InChIInChI=1S/C18H16Cl2F3NO2/c1-11-9-13(5-7-14(11)19)26-8-2-3-17(25)24-16-10-12(18(21,22)23)4-6-15(16)20/h4-7,9-10H,2-3,8H2,1H3,(H,24,25)
InChIKeyPEVJDLJFMCURLI-UHFFFAOYSA-N
XLogP6.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.23
LogP ≤ 56.12
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

N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 747189
4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide
CID 55613294
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
N-(2-benzoyl-4-chlorophenyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 19191287
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-[2-chloro-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide (CID 19191291) is 4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide is Cc1cc(OCCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is PEVJDLJFMCURLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F3NO2/c1-11-9-13(5-7-14(11)19)26-8-2-3-17(25)24-16-10-12(18(21,22)23)4-6-15(16)20/h4-7,9-10H,2-3,8H2,1H3,(H,24,25).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide?
4-(4-chloro-3-methylphenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 406.23 g/mol, XLogP of 6.12, 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-[2-chloro-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 19191291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).