N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide

C16H14F2N4O — CID 142372360

IUPACN-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide
SMILESNC(/C=C\Nc1cncc(F)c1)=N\C(=O)Cc1ccccc1F
InChIInChI=1S/C16H14F2N4O/c17-12-8-13(10-20-9-12)21-6-5-15(19)22-16(23)7-11-3-1-2-4-14(11)18/h1-6,8-10,21H,7H2,(H2,19,22,23)/b6-5-
InChIKeyBUUVAVUDKPHSCQ-WAYWQWQTSA-N
MW316.31 g/mol
LogP2.41
Rot. Bonds5

About N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide

N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide (PubChem CID 142372360) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide
PubChem CID142372360
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide
SMILESNC(/C=C\Nc1cncc(F)c1)=N\C(=O)Cc1ccccc1F
InChIInChI=1S/C16H14F2N4O/c17-12-8-13(10-20-9-12)21-6-5-15(19)22-16(23)7-11-3-1-2-4-14(11)18/h1-6,8-10,21H,7H2,(H2,19,22,23)/b6-5-
InChIKeyBUUVAVUDKPHSCQ-WAYWQWQTSA-N
XLogP2.41
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide
CID 142372331
N-[(Z)-1-amino-3-[3-(trifluoromethyl)anilino]prop-2-enylidene]-2-phenylacetamide
CID 142372061
N-[(Z)-1-amino-3-[(3,5-difluoro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 137282357
N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596949
N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 142372099
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide
CID 134596290
N-[(Z)-1-amino-3-[(2-ethoxy-4-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 142372160
N-(3-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233510
N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine
CID 114217557
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 137282358
2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide
CID 114253904

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide (CID 142372360) is N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide is NC(/C=C\Nc1cncc(F)c1)=N\C(=O)Cc1ccccc1F.
What is the InChIKey of N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide?
The InChIKey is BUUVAVUDKPHSCQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H14F2N4O/c17-12-8-13(10-20-9-12)21-6-5-15(19)22-16(23)7-11-3-1-2-4-14(11)18/h1-6,8-10,21H,7H2,(H2,19,22,23)/b6-5-.
What are the key properties of N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide?
N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide has a molecular weight of 316.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 142372360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).