5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide

C15H19ClF3NO3 — CID 86832151

IUPAC5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)NCCCOCC(F)(F)F
InChIInChI=1S/C15H19ClF3NO3/c1-10(2)23-13-5-4-11(16)8-12(13)14(21)20-6-3-7-22-9-15(17,18)19/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,20,21)
InChIKeyAVZSOWSVUVJGOP-UHFFFAOYSA-N
MW353.77 g/mol
LogP3.83
Rot. Bonds8

About 5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide

5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide (PubChem CID 86832151) has the molecular formula C15H19ClF3NO3 and a molecular weight of 353.77 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
PubChem CID86832151
Molecular FormulaC15H19ClF3NO3
Molecular Weight353.77 g/mol
Exact Mass353.10
IUPAC Name5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)NCCCOCC(F)(F)F
InChIInChI=1S/C15H19ClF3NO3/c1-10(2)23-13-5-4-11(16)8-12(13)14(21)20-6-3-7-22-9-15(17,18)19/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,20,21)
InChIKeyAVZSOWSVUVJGOP-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[3-(methylamino)propyl]-2-propan-2-yloxybenzamide;hydrochloride
CID 119429780
1-[5-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanone
CID 62073727
4-[4-[2-[(5-chloro-2-propan-2-yloxybenzoyl)amino]ethyl]phenyl]benzoic acid
CID 58148767
2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86929041
2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 55261445
5-chloro-N-(2-methylsulfinylpropyl)-2-propan-2-yloxybenzamide
CID 71844288
2-bromo-5-chloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 78849698
5-chloro-2-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 55803100
5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide
CID 100529695
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111708782
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-iodobenzamide
CID 114171392

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide?
The IUPAC name of 5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide (CID 86832151) is 5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide.
What is the SMILES notation for 5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide?
The canonical SMILES for 5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide is CC(C)Oc1ccc(Cl)cc1C(=O)NCCCOCC(F)(F)F.
What is the InChIKey of 5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide?
The InChIKey is AVZSOWSVUVJGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO3/c1-10(2)23-13-5-4-11(16)8-12(13)14(21)20-6-3-7-22-9-15(17,18)19/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,20,21).
What are the key properties of 5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide?
5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide has a molecular weight of 353.77 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-yloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide is sourced from PubChem (CID 86832151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).