(2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide

C17H14F2N2O3 — CID 71461034

IUPAC(2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide
SMILESO=C(NO)/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H14F2N2O3/c18-13-5-1-11(2-6-13)9-15(17(23)21-24)16(22)20-10-12-3-7-14(19)8-4-12/h1-9,24H,10H2,(H,20,22)(H,21,23)/b15-9-
InChIKeyAFTNYQQEGYCLRW-DHDCSXOGSA-N
MW332.31 g/mol
LogP2.17
Rot. Bonds5

About (2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide

(2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide (PubChem CID 71461034) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is (2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide.

Molecular Properties

Compound Name(2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide
PubChem CID71461034
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name(2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide
SMILESO=C(NO)/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H14F2N2O3/c18-13-5-1-11(2-6-13)9-15(17(23)21-24)16(22)20-10-12-3-7-14(19)8-4-12/h1-9,24H,10H2,(H,20,22)(H,21,23)/b15-9-
InChIKeyAFTNYQQEGYCLRW-DHDCSXOGSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.17
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-benzyl-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide
CID 71455608
4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide
CID 25265745
(E)-3-(4-fluorophenyl)-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-2-phenylprop-2-enamide
CID 59475037
2-[(4-fluorophenyl)methylcarbamoyl]-4-phenylbut-2-enoic acid
CID 68878501
(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 2426715
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide
CID 44996845
N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide
CID 108513981
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
5-[(Z)-2-(4-bromophenyl)-1-chloroethenyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46568796
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 17171986

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide?
The IUPAC name of (2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide (CID 71461034) is (2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide.
What is the SMILES notation for (2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide?
The canonical SMILES for (2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide is O=C(NO)/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of (2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide?
The InChIKey is AFTNYQQEGYCLRW-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c18-13-5-1-11(2-6-13)9-15(17(23)21-24)16(22)20-10-12-3-7-14(19)8-4-12/h1-9,24H,10H2,(H,20,22)(H,21,23)/b15-9-.
What are the key properties of (2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide?
(2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide has a molecular weight of 332.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylidene]-N'-hydroxypropanediamide is sourced from PubChem (CID 71461034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).