N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide

C19H18F6N2O2 — CID 20792432

IUPACN-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide
SMILESCC(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H18F6N2O2/c1-12(16(28)26-11-13-5-3-2-4-6-13)27-15-9-7-14(8-10-15)17(29,18(20,21)22)19(23,24)25/h2-10,12,27,29H,11H2,1H3,(H,26,28)
InChIKeyVCGZLMCPMJBLJP-UHFFFAOYSA-N
MW420.35 g/mol
LogP4.12
Rot. Bonds6

About N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide

N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide (PubChem CID 20792432) has the molecular formula C19H18F6N2O2 and a molecular weight of 420.35 g/mol. Its IUPAC name is N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide
PubChem CID20792432
Molecular FormulaC19H18F6N2O2
Molecular Weight420.35 g/mol
Exact Mass420.13
IUPAC NameN-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide
SMILESCC(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H18F6N2O2/c1-12(16(28)26-11-13-5-3-2-4-6-13)27-15-9-7-14(8-10-15)17(29,18(20,21)22)19(23,24)25/h2-10,12,27,29H,11H2,1H3,(H,26,28)
InChIKeyVCGZLMCPMJBLJP-UHFFFAOYSA-N
XLogP4.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide?
The IUPAC name of N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide (CID 20792432) is N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide.
What is the SMILES notation for N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide?
The canonical SMILES for N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide is CC(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide?
The InChIKey is VCGZLMCPMJBLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N2O2/c1-12(16(28)26-11-13-5-3-2-4-6-13)27-15-9-7-14(8-10-15)17(29,18(20,21)22)19(23,24)25/h2-10,12,27,29H,11H2,1H3,(H,26,28).
What are the key properties of N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide?
N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide has a molecular weight of 420.35 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]propanamide is sourced from PubChem (CID 20792432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).