N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

C19H18Cl2F3NO2 — CID 15986765

IUPACN-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2F3NO2/c1-11(2)25(16-9-8-14(20)10-15(16)21)17(26)12-4-6-13(7-5-12)18(3,27)19(22,23)24/h4-11,27H,1-3H3
InChIKeyWRPKCQZQINMBRV-UHFFFAOYSA-N
MW420.26 g/mol
LogP5.82
Rot. Bonds4

About N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (PubChem CID 15986765) has the molecular formula C19H18Cl2F3NO2 and a molecular weight of 420.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
PubChem CID15986765
Molecular FormulaC19H18Cl2F3NO2
Molecular Weight420.26 g/mol
Exact Mass419.07
IUPAC NameN-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2F3NO2/c1-11(2)25(16-9-8-14(20)10-15(16)21)17(26)12-4-6-13(7-5-12)18(3,27)19(22,23)24/h4-11,27H,1-3H3
InChIKeyWRPKCQZQINMBRV-UHFFFAOYSA-N
XLogP5.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.26
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (CID 15986765) is N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(C(C)(O)C(F)(F)F)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The InChIKey is WRPKCQZQINMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F3NO2/c1-11(2)25(16-9-8-14(20)10-15(16)21)17(26)12-4-6-13(7-5-12)18(3,27)19(22,23)24/h4-11,27H,1-3H3.
What are the key properties of N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide has a molecular weight of 420.26 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N-propan-2-yl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 15986765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).