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

C16H12F6N2O — CID 570192

IUPACN-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide
SMILESO=C(NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H12F6N2O/c17-15(18,19)14(16(20,21)22,23-12-9-5-2-6-10-12)24-13(25)11-7-3-1-4-8-11/h1-10,23H,(H,24,25)
InChIKeyRNYOVKOAIVBKNS-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.35
Rot. Bonds4

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

N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide (PubChem CID 570192) has the molecular formula C16H12F6N2O and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide
PubChem CID570192
Molecular FormulaC16H12F6N2O
Molecular Weight362.27 g/mol
Exact Mass362.09
IUPAC NameN-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide
SMILESO=C(NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H12F6N2O/c17-15(18,19)14(16(20,21)22,23-12-9-5-2-6-10-12)24-13(25)11-7-3-1-4-8-11/h1-10,23H,(H,24,25)
InChIKeyRNYOVKOAIVBKNS-UHFFFAOYSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.35
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-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide?
The IUPAC name of N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide (CID 570192) is N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide.
What is the SMILES notation for N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide?
The canonical SMILES for N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide is O=C(NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide?
The InChIKey is RNYOVKOAIVBKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N2O/c17-15(18,19)14(16(20,21)22,23-12-9-5-2-6-10-12)24-13(25)11-7-3-1-4-8-11/h1-10,23H,(H,24,25).
What are the key properties of N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide?
N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide has a molecular weight of 362.27 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-1,1,1,3,3,3-hexafluoropropan-2-yl)benzamide is sourced from PubChem (CID 570192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).