4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide

C18H17ClF3NO3 — CID 22006723

IUPAC4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCc1cc(O)cc(Cl)c1OCCCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17ClF3NO3/c1-11-9-14(24)10-15(19)17(11)26-8-2-3-16(25)23-13-6-4-12(5-7-13)18(20,21)22/h4-7,9-10,24H,2-3,8H2,1H3,(H,23,25)
InChIKeyUKCNGOWKQADYES-UHFFFAOYSA-N
MW387.79 g/mol
LogP5.17
Rot. Bonds6

About 4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide

4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 22006723) has the molecular formula C18H17ClF3NO3 and a molecular weight of 387.79 g/mol. Its IUPAC name is 4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID22006723
Molecular FormulaC18H17ClF3NO3
Molecular Weight387.79 g/mol
Exact Mass387.08
IUPAC Name4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
SMILESCc1cc(O)cc(Cl)c1OCCCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17ClF3NO3/c1-11-9-14(24)10-15(19)17(11)26-8-2-3-16(25)23-13-6-4-12(5-7-13)18(20,21)22/h4-7,9-10,24H,2-3,8H2,1H3,(H,23,25)
InChIKeyUKCNGOWKQADYES-UHFFFAOYSA-N
XLogP5.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.79
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide (CID 22006723) is 4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide is Cc1cc(O)cc(Cl)c1OCCCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is UKCNGOWKQADYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO3/c1-11-9-14(24)10-15(19)17(11)26-8-2-3-16(25)23-13-6-4-12(5-7-13)18(20,21)22/h4-7,9-10,24H,2-3,8H2,1H3,(H,23,25).
What are the key properties of 4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide?
4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 387.79 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-hydroxy-6-methylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 22006723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).