N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide

C17H13F6NO2 — CID 2817603

IUPACN-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide
SMILESO=C(NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)15(17(21,22)23,26-11-12-7-3-1-4-8-12)24-14(25)13-9-5-2-6-10-13/h1-10H,11H2,(H,24,25)
InChIKeyNDQXGPFUZUIAEH-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.45
Rot. Bonds5

About N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide

N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide (PubChem CID 2817603) has the molecular formula C17H13F6NO2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide
PubChem CID2817603
Molecular FormulaC17H13F6NO2
Molecular Weight377.28 g/mol
Exact Mass377.09
IUPAC NameN-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide
SMILESO=C(NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)15(17(21,22)23,26-11-12-7-3-1-4-8-12)24-14(25)13-9-5-2-6-10-13/h1-10H,11H2,(H,24,25)
InChIKeyNDQXGPFUZUIAEH-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide (CID 2817603) is N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide is O=C(NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide?
The InChIKey is NDQXGPFUZUIAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO2/c18-16(19,20)15(17(21,22)23,26-11-12-7-3-1-4-8-12)24-14(25)13-9-5-2-6-10-13/h1-10H,11H2,(H,24,25).
What are the key properties of N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide?
N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide has a molecular weight of 377.28 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide is sourced from PubChem (CID 2817603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).