1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide

C20H17FN2O3 — CID 87529543

IUPAC1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide
SMILESO=C(NO)C1(C(=O)Nc2ccc(F)cc2)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C20H17FN2O3/c21-16-8-10-17(11-9-16)22-18(24)20(19(25)23-26)12-4-7-15(13-20)14-5-2-1-3-6-14/h1-12,26H,13H2,(H,22,24)(H,23,25)
InChIKeyDFIJQFZKDSDVCR-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.30
Rot. Bonds4

About 1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide

1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide (PubChem CID 87529543) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide
PubChem CID87529543
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide
SMILESO=C(NO)C1(C(=O)Nc2ccc(F)cc2)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C20H17FN2O3/c21-16-8-10-17(11-9-16)22-18(24)20(19(25)23-26)12-4-7-15(13-20)14-5-2-1-3-6-14/h1-12,26H,13H2,(H,22,24)(H,23,25)
InChIKeyDFIJQFZKDSDVCR-UHFFFAOYSA-N
XLogP3.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl 5-phenylcyclohexa-2,4-diene-1,1-dicarboxylate
CID 175230851
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 75401002
1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 174545418
N-(4-fluorophenyl)-3-phenyloxetane-3-carboxamide
CID 154632266
(E)-3-[5-(4-fluorophenyl)-1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]-1-phenylprop-2-en-1-one
CID 175715465
1-ethyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699547
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid
CID 71282833
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide (CID 87529543) is 1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide is O=C(NO)C1(C(=O)Nc2ccc(F)cc2)C=CC=C(c2ccccc2)C1.
What is the InChIKey of 1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide?
The InChIKey is DFIJQFZKDSDVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-16-8-10-17(11-9-16)22-18(24)20(19(25)23-26)12-4-7-15(13-20)14-5-2-1-3-6-14/h1-12,26H,13H2,(H,22,24)(H,23,25).
What are the key properties of 1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide?
1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-1-N'-hydroxy-5-phenylcyclohexa-2,4-diene-1,1-dicarboxamide is sourced from PubChem (CID 87529543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).