N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide

C18H25ClFN3O2 — CID 46200212

IUPACN'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide
SMILESCN1C(C)(C)CC(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC1(C)C
InChIInChI=1S/C18H25ClFN3O2/c1-17(2)9-12(10-18(3,4)23(17)5)22-16(25)15(24)21-11-6-7-13(19)14(20)8-11/h6-8,12H,9-10H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyBDBJXDJHRQCGDD-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.19
Rot. Bonds2

About N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide

N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide (PubChem CID 46200212) has the molecular formula C18H25ClFN3O2 and a molecular weight of 369.87 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide
PubChem CID46200212
Molecular FormulaC18H25ClFN3O2
Molecular Weight369.87 g/mol
Exact Mass369.16
IUPAC NameN'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide
SMILESCN1C(C)(C)CC(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC1(C)C
InChIInChI=1S/C18H25ClFN3O2/c1-17(2)9-12(10-18(3,4)23(17)5)22-16(25)15(24)21-11-6-7-13(19)14(20)8-11/h6-8,12H,9-10H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyBDBJXDJHRQCGDD-UHFFFAOYSA-N
XLogP3.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-3-hydroxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 71590634
N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide
CID 111798888
methyl 4-[amino-[(Z)-[7-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-2-ylidene]methyl]amino]butanoate
CID 143987010
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894
N'-(4-chloro-3-fluorophenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 46198843
N'-(4-chloro-3-fluorophenyl)oxamide
CID 70886699
3-(4-chloro-3-fluorophenyl)-N-[1-(3-cyanopropyl)-2,2,6,6-tetramethylpiperidin-4-yl]-2-oxopropanamide
CID 157197708
N'-(4-chloro-3-propan-2-yloxyphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 53326853
tert-butyl (3R,4R)-3-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-4-hydroxypyrrolidine-1-carboxylate
CID 46199133
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide (CID 46200212) is N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide is CN1C(C)(C)CC(NC(=O)C(=O)Nc2ccc(Cl)c(F)c2)CC1(C)C.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide?
The InChIKey is BDBJXDJHRQCGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClFN3O2/c1-17(2)9-12(10-18(3,4)23(17)5)22-16(25)15(24)21-11-6-7-13(19)14(20)8-11/h6-8,12H,9-10H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide?
N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide has a molecular weight of 369.87 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 46200212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).