N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide

C17H23ClN2O — CID 22755887

IUPACN-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide
SMILESCC1(C)CC(=CC(=O)Nc2ccc(Cl)cc2)CC(C)(C)N1
InChIInChI=1S/C17H23ClN2O/c1-16(2)10-12(11-17(3,4)20-16)9-15(21)19-14-7-5-13(18)6-8-14/h5-9,20H,10-11H2,1-4H3,(H,19,21)
InChIKeyIMSDHBCJAQWNDV-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.15
Rot. Bonds2

About N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide

N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide (PubChem CID 22755887) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide
PubChem CID22755887
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide
SMILESCC1(C)CC(=CC(=O)Nc2ccc(Cl)cc2)CC(C)(C)N1
InChIInChI=1S/C17H23ClN2O/c1-16(2)10-12(11-17(3,4)20-16)9-15(21)19-14-7-5-13(18)6-8-14/h5-9,20H,10-11H2,1-4H3,(H,19,21)
InChIKeyIMSDHBCJAQWNDV-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride
CID 18529790
N-(4-chlorophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide
CID 760624
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetamide
CID 4737197
4-[4-(4-chlorophenyl)anilino]-4-oxobut-2-enoic acid
CID 745490
Se-methyl N-(4-chlorophenyl)carbamoselenoate
CID 11831802
1-(4-chlorophenyl)-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]urea
CID 4615513
N-(4-chlorophenyl)-2-(diaminomethylidenehydrazinylidene)acetamide
CID 44531277
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
sodium;4-(4-chloroanilino)-4-oxobut-2-enoic acid;hydride
CID 173448641
N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-(4-chlorophenyl)-4-propylpiperidine-4-carboxamide
CID 63127290

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide (CID 22755887) is N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide is CC1(C)CC(=CC(=O)Nc2ccc(Cl)cc2)CC(C)(C)N1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide?
The InChIKey is IMSDHBCJAQWNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-16(2)10-12(11-17(3,4)20-16)9-15(21)19-14-7-5-13(18)6-8-14/h5-9,20H,10-11H2,1-4H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide?
N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide has a molecular weight of 306.84 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide is sourced from PubChem (CID 22755887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).