N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide

C22H25ClFN3O3 — CID 16893138

IUPACN'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
SMILESO=C(NCCCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C22H25ClFN3O3/c23-18-14-17(8-9-19(18)24)26-22(29)21(28)25-10-4-5-11-27-12-13-30-20(15-27)16-6-2-1-3-7-16/h1-3,6-9,14,20H,4-5,10-13,15H2,(H,25,28)(H,26,29)
InChIKeyJXPBTIVQSPTSGX-UHFFFAOYSA-N
MW433.91 g/mol
LogP3.39
Rot. Bonds7

About N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide

N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide (PubChem CID 16893138) has the molecular formula C22H25ClFN3O3 and a molecular weight of 433.91 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
PubChem CID16893138
Molecular FormulaC22H25ClFN3O3
Molecular Weight433.91 g/mol
Exact Mass433.16
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide
SMILESO=C(NCCCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C22H25ClFN3O3/c23-18-14-17(8-9-19(18)24)26-22(29)21(28)25-10-4-5-11-27-12-13-30-20(15-27)16-6-2-1-3-7-16/h1-3,6-9,14,20H,4-5,10-13,15H2,(H,25,28)(H,26,29)
InChIKeyJXPBTIVQSPTSGX-UHFFFAOYSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide (CID 16893138) is N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide is O=C(NCCCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide?
The InChIKey is JXPBTIVQSPTSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O3/c23-18-14-17(8-9-19(18)24)26-22(29)21(28)25-10-4-5-11-27-12-13-30-20(15-27)16-6-2-1-3-7-16/h1-3,6-9,14,20H,4-5,10-13,15H2,(H,25,28)(H,26,29).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide?
N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide has a molecular weight of 433.91 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-[4-(2-phenylmorpholin-4-yl)butyl]oxamide is sourced from PubChem (CID 16893138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).