N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide

C20H21F2N3O2 — CID 108987647

IUPACN'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
SMILESCC1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C20H21F2N3O2/c1-13-8-10-25(11-9-13)16-5-2-14(3-6-16)23-19(26)20(27)24-15-4-7-17(21)18(22)12-15/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyVXZAXWOJAKMWJN-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.78
Rot. Bonds3

About N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide

N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide (PubChem CID 108987647) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
PubChem CID108987647
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC NameN'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
SMILESCC1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C20H21F2N3O2/c1-13-8-10-25(11-9-13)16-5-2-14(3-6-16)23-19(26)20(27)24-15-4-7-17(21)18(22)12-15/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyVXZAXWOJAKMWJN-UHFFFAOYSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991879
N'-(3-methylphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986740
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
3,4-difluoro-N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]benzamide
CID 113000247
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108992547
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
CID 108986432
2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide
CID 108984409
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323095
N-(3-chloro-4-fluorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183526

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide (CID 108987647) is N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide is CC1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide?
The InChIKey is VXZAXWOJAKMWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-13-8-10-25(11-9-13)16-5-2-14(3-6-16)23-19(26)20(27)24-15-4-7-17(21)18(22)12-15/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide?
N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide has a molecular weight of 373.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 108987647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).