N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide

C19H18F3N3O2 — CID 108527759

IUPACN-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H18F3N3O2/c20-14-8-9-15(17(22)16(14)21)24-19(27)18(26)23-12-4-6-13(7-5-12)25-10-2-1-3-11-25/h4-9H,1-3,10-11H2,(H,23,26)(H,24,27)
InChIKeyJIGBZKLWGZBRAQ-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.67
Rot. Bonds3

About N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide

N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide (PubChem CID 108527759) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
PubChem CID108527759
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H18F3N3O2/c20-14-8-9-15(17(22)16(14)21)24-19(27)18(26)23-12-4-6-13(7-5-12)25-10-2-1-3-11-25/h4-9H,1-3,10-11H2,(H,23,26)(H,24,27)
InChIKeyJIGBZKLWGZBRAQ-UHFFFAOYSA-N
XLogP3.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.67
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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108956501
N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108527766
3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109041851
N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987612
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
N'-(2,5-dichlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987617
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108992547
N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108507754
N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108522705
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986873
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide (CID 108527759) is N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide is O=C(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is JIGBZKLWGZBRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-14-8-9-15(17(22)16(14)21)24-19(27)18(26)23-12-4-6-13(7-5-12)25-10-2-1-3-11-25/h4-9H,1-3,10-11H2,(H,23,26)(H,24,27).
What are the key properties of N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 377.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 108527759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).