N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C26H26FN3O2 — CID 6154296

IUPACN-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26FN3O2/c1-19-16-24(30-14-8-9-15-30)23(27)17-20(19)18-28-29-25(31)26(32,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,16-18,32H,8-9,14-15H2,1H3,(H,29,31)/b28-18-
InChIKeyBBOIHPCWBJUDQB-VEILYXNESA-N
MW431.51 g/mol
LogP4.12
Rot. Bonds6

About N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 6154296) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID6154296
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC NameN-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26FN3O2/c1-19-16-24(30-14-8-9-15-30)23(27)17-20(19)18-28-29-25(31)26(32,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,16-18,32H,8-9,14-15H2,1H3,(H,29,31)/b28-18-
InChIKeyBBOIHPCWBJUDQB-VEILYXNESA-N
XLogP4.12
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 3313701
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 4620646
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 3899831
2-hydroxy-2,2-diphenyl-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 1281852
4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid
CID 4202846
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 3525376
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 5034585
2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine
CID 5031665
2-[3-(dimethylamino)phenoxy]-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 4234237
2-[3-(dimethylamino)phenoxy]-N-[(E)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 124553498
2-hydroxy-N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]-2,2-diphenylacetamide
CID 50864651

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 6154296) is N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is BBOIHPCWBJUDQB-VEILYXNESA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-19-16-24(30-14-8-9-15-30)23(27)17-20(19)18-28-29-25(31)26(32,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,16-18,32H,8-9,14-15H2,1H3,(H,29,31)/b28-18-.
What are the key properties of N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 431.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 6154296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).