2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide

C15H20FN3O — CID 5404259

IUPAC2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
SMILESC[C@H]1CCCC/C1=N/NC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O/c1-11-4-2-3-5-14(11)18-19-15(20)10-17-13-8-6-12(16)7-9-13/h6-9,11,17H,2-5,10H2,1H3,(H,19,20)/b18-14-/t11-/m0/s1
InChIKeyCUZQOIXOJKFBDI-WMEZLHQCSA-N
MW277.34 g/mol
LogP2.92
Rot. Bonds4

About 2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide

2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide (PubChem CID 5404259) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
PubChem CID5404259
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
SMILESC[C@H]1CCCC/C1=N/NC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O/c1-11-4-2-3-5-14(11)18-19-15(20)10-17-13-8-6-12(16)7-9-13/h6-9,11,17H,2-5,10H2,1H3,(H,19,20)/b18-14-/t11-/m0/s1
InChIKeyCUZQOIXOJKFBDI-WMEZLHQCSA-N
XLogP2.92
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.92
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)-(2-methylcyclohexylidene)amino]acetamide
CID 5332996
2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5333078
2-(2-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide
CID 1379155
N-(4-bromophenyl)-N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]butanediamide
CID 7346988
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 42996055
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide
CID 3570493
N'-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-N-propan-2-yloxamide
CID 9351584
2-(4-fluoroanilino)-N'-(2-methylcyclohexen-1-yl)acetohydrazide
CID 4621880
3-chloro-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 7722671
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
3,4-dimethoxy-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]benzamide
CID 9232770

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide (CID 5404259) is 2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide is C[C@H]1CCCC/C1=N/NC(=O)CNc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide?
The InChIKey is CUZQOIXOJKFBDI-WMEZLHQCSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11-4-2-3-5-14(11)18-19-15(20)10-17-13-8-6-12(16)7-9-13/h6-9,11,17H,2-5,10H2,1H3,(H,19,20)/b18-14-/t11-/m0/s1.
What are the key properties of 2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide?
2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide has a molecular weight of 277.34 g/mol, XLogP of 2.92, 4 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)-[(2S)-2-methylcyclohexylidene]amino]acetamide is sourced from PubChem (CID 5404259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).