N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide

C15H13FN2O — CID 6899001

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O/c16-14-8-6-13(7-9-14)11-17-18-15(19)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19)/b17-11+
InChIKeyKJUUQJVCLRNXCW-GZTJUZNOSA-N
MW256.28 g/mol
LogP2.52
Rot. Bonds4

About N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide

N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 6899001) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
PubChem CID6899001
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O/c16-14-8-6-13(7-9-14)11-17-18-15(19)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19)/b17-11+
InChIKeyKJUUQJVCLRNXCW-GZTJUZNOSA-N
XLogP2.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 6874469
2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126248647
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428714
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 956205
2-(4-fluorophenyl)-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 126242971
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561
4-[[4-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126242674
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428594
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
CID 132933007

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide (CID 6899001) is N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1ccc(F)cc1.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is KJUUQJVCLRNXCW-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-14-8-6-13(7-9-14)11-17-18-15(19)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 256.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 6899001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).