N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide

C19H17F2NO2 — CID 87895075

IUPACN-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide
SMILESCC(C)C(=O)C(=Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H17F2NO2/c1-12(2)18(23)17(11-13-3-5-14(20)6-4-13)19(24)22-16-9-7-15(21)8-10-16/h3-12H,1-2H3,(H,22,24)
InChIKeyMPNAZGMKZBIUPI-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.21
Rot. Bonds5

About N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide

N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide (PubChem CID 87895075) has the molecular formula C19H17F2NO2 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide
PubChem CID87895075
Molecular FormulaC19H17F2NO2
Molecular Weight329.35 g/mol
Exact Mass329.12
IUPAC NameN-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide
SMILESCC(C)C(=O)C(=Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H17F2NO2/c1-12(2)18(23)17(11-13-3-5-14(20)6-4-13)19(24)22-16-9-7-15(21)8-10-16/h3-12H,1-2H3,(H,22,24)
InChIKeyMPNAZGMKZBIUPI-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanoic acid
CID 21245106
(Z)-3-(4-fluorophenyl)-2-methoxy-N-(4-methoxyphenyl)prop-2-enamide
CID 56968407
(Z)-3-(4-bromophenyl)-N-(4-fluorophenyl)-2-methoxyprop-2-enamide
CID 56968638
hexyl 2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanoate
CID 141184903
N,N'-bis(3,4-dimethylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide
CID 3331137
(E)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-enamide
CID 2338665
ethyl (E)-3-(dimethylamino)-2-[(4-fluorophenyl)carbamoyl]prop-2-enoate
CID 156757186
4-[[(Z)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]amino]benzoic acid
CID 2094514
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
(2E)-3-hydroxy-N-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]butanamide
CID 169099256
methyl (2E)-2-[(4-fluorophenyl)methylidene]-3-oxopentanoate
CID 15924232
2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 5025351

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide (CID 87895075) is N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide is CC(C)C(=O)C(=Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide?
The InChIKey is MPNAZGMKZBIUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c1-12(2)18(23)17(11-13-3-5-14(20)6-4-13)19(24)22-16-9-7-15(21)8-10-16/h3-12H,1-2H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide?
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide has a molecular weight of 329.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylidene]-4-methyl-3-oxopentanamide is sourced from PubChem (CID 87895075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).