N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide

C17H13F6N3O — CID 569446

IUPACN-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
SMILESNC(=NC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H13F6N3O/c18-16(19,20)15(17(21,22)23,25-13(24)11-7-3-1-4-8-11)26-14(27)12-9-5-2-6-10-12/h1-10H,(H2,24,25)(H,26,27)
InChIKeyHJWUAQNNFVSXBJ-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.64
Rot. Bonds4

About N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide

N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide (PubChem CID 569446) has the molecular formula C17H13F6N3O and a molecular weight of 389.30 g/mol. Its IUPAC name is N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
PubChem CID569446
Molecular FormulaC17H13F6N3O
Molecular Weight389.30 g/mol
Exact Mass389.10
IUPAC NameN-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide
SMILESNC(=NC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H13F6N3O/c18-16(19,20)15(17(21,22)23,25-13(24)11-7-3-1-4-8-11)26-14(27)12-9-5-2-6-10-12/h1-10H,(H2,24,25)(H,26,27)
InChIKeyHJWUAQNNFVSXBJ-UHFFFAOYSA-N
XLogP3.64
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
The IUPAC name of N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide (CID 569446) is N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide.
What is the SMILES notation for N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
The canonical SMILES for N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide is NC(=NC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
The InChIKey is HJWUAQNNFVSXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N3O/c18-16(19,20)15(17(21,22)23,25-13(24)11-7-3-1-4-8-11)26-14(27)12-9-5-2-6-10-12/h1-10H,(H2,24,25)(H,26,27).
What are the key properties of N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide?
N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide has a molecular weight of 389.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino(phenyl)methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzamide is sourced from PubChem (CID 569446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).