4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide

C19H22F6N2O3 — CID 59552275

IUPAC4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide
SMILESCNc1ccc(NC(=O)C2CCC(C(C)=O)CC2)c(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C19H22F6N2O3/c1-10(28)11-3-5-12(6-4-11)16(29)27-15-8-7-13(26-2)9-14(15)17(30,18(20,21)22)19(23,24)25/h7-9,11-12,26,30H,3-6H2,1-2H3,(H,27,29)
InChIKeyWNGGKHQTEDQLBW-UHFFFAOYSA-N
MW440.38 g/mol
LogP4.37
Rot. Bonds5

About 4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide

4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 59552275) has the molecular formula C19H22F6N2O3 and a molecular weight of 440.38 g/mol. Its IUPAC name is 4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID59552275
Molecular FormulaC19H22F6N2O3
Molecular Weight440.38 g/mol
Exact Mass440.15
IUPAC Name4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide
SMILESCNc1ccc(NC(=O)C2CCC(C(C)=O)CC2)c(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C19H22F6N2O3/c1-10(28)11-3-5-12(6-4-11)16(29)27-15-8-7-13(26-2)9-14(15)17(30,18(20,21)22)19(23,24)25/h7-9,11-12,26,30H,3-6H2,1-2H3,(H,27,29)
InChIKeyWNGGKHQTEDQLBW-UHFFFAOYSA-N
XLogP4.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide 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 4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide (CID 59552275) is 4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide is CNc1ccc(NC(=O)C2CCC(C(C)=O)CC2)c(C(O)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is WNGGKHQTEDQLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F6N2O3/c1-10(28)11-3-5-12(6-4-11)16(29)27-15-8-7-13(26-2)9-14(15)17(30,18(20,21)22)19(23,24)25/h7-9,11-12,26,30H,3-6H2,1-2H3,(H,27,29).
What are the key properties of 4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide?
4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 440.38 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-(methylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59552275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).