2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide

C15H22FN3O — CID 6025913

IUPAC2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide
SMILESC/C(CCC(C)C)=N/NC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-11(2)4-5-12(3)18-19-15(20)10-17-14-8-6-13(16)7-9-14/h6-9,11,17H,4-5,10H2,1-3H3,(H,19,20)/b18-12-
InChIKeyPISZLCGJSLSMIC-PDGQHHTCSA-N
MW279.36 g/mol
LogP3.17
Rot. Bonds7

About 2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide

2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide (PubChem CID 6025913) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide
PubChem CID6025913
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide
SMILESC/C(CCC(C)C)=N/NC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-11(2)4-5-12(3)18-19-15(20)10-17-14-8-6-13(16)7-9-14/h6-9,11,17H,4-5,10H2,1-3H3,(H,19,20)/b18-12-
InChIKeyPISZLCGJSLSMIC-PDGQHHTCSA-N
XLogP3.17
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 6370873
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
N-[1-(4-bromophenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 3461885
2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
CID 6167892
N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416891
2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide
CID 7933305
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
2-(4-fluoroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506069
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 79250136
(3Z)-N-(4-fluorophenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6379598
N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 2356638

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide (CID 6025913) is 2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide is C/C(CCC(C)C)=N/NC(=O)CNc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide?
The InChIKey is PISZLCGJSLSMIC-PDGQHHTCSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11(2)4-5-12(3)18-19-15(20)10-17-14-8-6-13(16)7-9-14/h6-9,11,17H,4-5,10H2,1-3H3,(H,19,20)/b18-12-.
What are the key properties of 2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide?
2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide has a molecular weight of 279.36 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-[(Z)-5-methylhexan-2-ylideneamino]acetamide is sourced from PubChem (CID 6025913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).