N-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide

C17H12F6N2O2 — CID 12571619

IUPACN-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide
SMILESO=C(NC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)15(17(21,22)23,24-13(26)11-7-3-1-4-8-11)25-14(27)12-9-5-2-6-10-12/h1-10H,(H,24,26)(H,25,27)
InChIKeyIAQDAOIMHZZUKL-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.67
Rot. Bonds4

About N-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide

N-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide (PubChem CID 12571619) has the molecular formula C17H12F6N2O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide
PubChem CID12571619
Molecular FormulaC17H12F6N2O2
Molecular Weight390.28 g/mol
Exact Mass390.08
IUPAC NameN-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide
SMILESO=C(NC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)15(17(21,22)23,24-13(26)11-7-3-1-4-8-11)25-14(27)12-9-5-2-6-10-12/h1-10H,(H,24,26)(H,25,27)
InChIKeyIAQDAOIMHZZUKL-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.67
H-Bond Donors ≤ 52
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-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide?
The IUPAC name of N-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide (CID 12571619) is N-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide.
What is the SMILES notation for N-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide?
The canonical SMILES for N-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide is O=C(NC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide?
The InChIKey is IAQDAOIMHZZUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O2/c18-16(19,20)15(17(21,22)23,24-13(26)11-7-3-1-4-8-11)25-14(27)12-9-5-2-6-10-12/h1-10H,(H,24,26)(H,25,27).
What are the key properties of N-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide?
N-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide has a molecular weight of 390.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide is sourced from PubChem (CID 12571619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).