3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide

C14H12FN3O2S — CID 6882567

IUPAC3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccs1
InChIInChI=1S/C14H12FN3O2S/c15-11-4-1-3-10(7-11)14(20)16-9-13(19)18-17-8-12-5-2-6-21-12/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+
InChIKeyAIVSXWDDGKNAEA-CAOOACKPSA-N
MW305.33 g/mol
LogP1.77
Rot. Bonds5

About 3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide

3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide (PubChem CID 6882567) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
PubChem CID6882567
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccs1
InChIInChI=1S/C14H12FN3O2S/c15-11-4-1-3-10(7-11)14(20)16-9-13(19)18-17-8-12-5-2-6-21-12/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+
InChIKeyAIVSXWDDGKNAEA-CAOOACKPSA-N
XLogP1.77
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.77
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

(2S)-4-methyl-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)-2-[(2-thiophen-3-ylacetyl)amino]pentanamide
CID 9910347
(2S)-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)-2-[(2-thiophen-3-ylacetyl)amino]propanamide
CID 44440649
(E)-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-3-phenylprop-2-enamide
CID 5333943
3-bromo-N-{2-oxo-2-[(2E)-2-(2-thienylmethylene)hydrazino]ethyl}benzamide
CID 6895716
N-({N'-[(E)-(4-Chlorophenyl)methylidene]hydrazinecarbonyl}methyl)thiophene-2-carboxamide
CID 9608632
Thiophene-2-carboxylic acid [2-(4-fluoro-phenyl)-2-oxo-ethyl]-amide
CID 856371
(2S)-4-methyl-N-(3-methyl-4-oxo-5H-2,3-benzodiazepin-5-yl)-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
CID 44440669
Benzene acid, (2-thienylmethylene)hydrazide
CID 6895148
N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 4789691
N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6882316
(E)-N-(2-(2-(4-methylbenzylidene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide
CID 9612698
(E)-4-(N,N-dimethylsulfamoyl)-N-(2-(2-((3-methylthiophen-2-yl)methylene)hydrazinyl)-2-oxoethyl)benzamide
CID 9649384

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide (CID 6882567) is 3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccs1.
What is the InChIKey of 3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
The InChIKey is AIVSXWDDGKNAEA-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c15-11-4-1-3-10(7-11)14(20)16-9-13(19)18-17-8-12-5-2-6-21-12/h1-8H,9H2,(H,16,20)(H,18,19)/b17-8+.
What are the key properties of 3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide?
3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide has a molecular weight of 305.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 6882567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).