2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide

C24H27F3N2O3 — CID 108556788

IUPAC2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C24H27F3N2O3/c1-14(2)16-4-6-18(7-5-16)32-15(3)24(31)29-12-10-17(11-13-29)28-23(30)19-8-9-20(25)22(27)21(19)26/h4-9,14-15,17H,10-13H2,1-3H3,(H,28,30)
InChIKeyXVTPMZAYLFLJOU-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.42
Rot. Bonds6

About 2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide

2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide (PubChem CID 108556788) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
PubChem CID108556788
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C24H27F3N2O3/c1-14(2)16-4-6-18(7-5-16)32-15(3)24(31)29-12-10-17(11-13-29)28-23(30)19-8-9-20(25)22(27)21(19)26/h4-9,14-15,17H,10-13H2,1-3H3,(H,28,30)
InChIKeyXVTPMZAYLFLJOU-UHFFFAOYSA-N
XLogP4.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
2-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557669
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108549550
3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108556193
N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide
CID 110822364
3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108565276
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558175
2,3,4-trifluoro-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108541583
N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554683
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108536065
2-methyl-N-[1-[2-(3-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 55796186

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide (CID 108556788) is 2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide is CC(Oc1ccc(C(C)C)cc1)C(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide?
The InChIKey is XVTPMZAYLFLJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c1-14(2)16-4-6-18(7-5-16)32-15(3)24(31)29-12-10-17(11-13-29)28-23(30)19-8-9-20(25)22(27)21(19)26/h4-9,14-15,17H,10-13H2,1-3H3,(H,28,30).
What are the key properties of 2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide?
2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide has a molecular weight of 448.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108556788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).