N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide

C19H19Cl2F3N2O2 — CID 153320776

IUPACN-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide
SMILESCC(=O)NC(c1ccc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1)C(C)(C)O
InChIInChI=1S/C19H19Cl2F3N2O2/c1-10(27)25-17(18(2,3)28)11-4-6-13(7-5-11)26-16-14(20)8-12(9-15(16)21)19(22,23)24/h4-9,17,26,28H,1-3H3,(H,25,27)
InChIKeyFMKOOUOAECNYHM-UHFFFAOYSA-N
MW435.27 g/mol
LogP5.70
Rot. Bonds5

About N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide

N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide (PubChem CID 153320776) has the molecular formula C19H19Cl2F3N2O2 and a molecular weight of 435.27 g/mol. Its IUPAC name is N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide
PubChem CID153320776
Molecular FormulaC19H19Cl2F3N2O2
Molecular Weight435.27 g/mol
Exact Mass434.08
IUPAC NameN-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide
SMILESCC(=O)NC(c1ccc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1)C(C)(C)O
InChIInChI=1S/C19H19Cl2F3N2O2/c1-10(27)25-17(18(2,3)28)11-4-6-13(7-5-11)26-16-14(20)8-12(9-15(16)21)19(22,23)24/h4-9,17,26,28H,1-3H3,(H,25,27)
InChIKeyFMKOOUOAECNYHM-UHFFFAOYSA-N
XLogP5.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.27
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide?
The IUPAC name of N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide (CID 153320776) is N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide.
What is the SMILES notation for N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide?
The canonical SMILES for N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide is CC(=O)NC(c1ccc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1)C(C)(C)O.
What is the InChIKey of N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide?
The InChIKey is FMKOOUOAECNYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F3N2O2/c1-10(27)25-17(18(2,3)28)11-4-6-13(7-5-11)26-16-14(20)8-12(9-15(16)21)19(22,23)24/h4-9,17,26,28H,1-3H3,(H,25,27).
What are the key properties of N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide?
N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide has a molecular weight of 435.27 g/mol, XLogP of 5.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2,6-dichloro-4-(trifluoromethyl)anilino]phenyl]-2-hydroxy-2-methylpropyl]acetamide is sourced from PubChem (CID 153320776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).