N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide

C15H14FN3O2S — CID 6895302

IUPACN-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1cccs1
InChIInChI=1S/C15H14FN3O2S/c16-11-3-5-12(6-4-11)18-14(20)7-8-15(21)19-17-10-13-2-1-9-22-13/h1-6,9-10H,7-8H2,(H,18,20)(H,19,21)/b17-10+
InChIKeyNRPDDCRKRZGCKD-LICLKQGHSA-N
MW319.36 g/mol
LogP2.76
Rot. Bonds6

About N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide

N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide (PubChem CID 6895302) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide
PubChem CID6895302
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC NameN-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1cccs1
InChIInChI=1S/C15H14FN3O2S/c16-11-3-5-12(6-4-11)18-14(20)7-8-15(21)19-17-10-13-2-1-9-22-13/h1-6,9-10H,7-8H2,(H,18,20)(H,19,21)/b17-10+
InChIKeyNRPDDCRKRZGCKD-LICLKQGHSA-N
XLogP2.76
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide (CID 6895302) is N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide is O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1cccs1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide?
The InChIKey is NRPDDCRKRZGCKD-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c16-11-3-5-12(6-4-11)18-14(20)7-8-15(21)19-17-10-13-2-1-9-22-13/h1-6,9-10H,7-8H2,(H,18,20)(H,19,21)/b17-10+.
What are the key properties of N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide?
N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide has a molecular weight of 319.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[(E)-thiophen-2-ylmethylideneamino]butanediamide is sourced from PubChem (CID 6895302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).