N'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide

C15H19ClFN3O3 — CID 7585030

IUPACN'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H19ClFN3O3/c16-12-10-11(2-3-13(12)17)19-15(22)14(21)18-4-1-5-20-6-8-23-9-7-20/h2-3,10H,1,4-9H2,(H,18,21)(H,19,22)
InChIKeyWRSHDXXHCPUKRW-UHFFFAOYSA-N
MW343.79 g/mol
LogP1.26
Rot. Bonds5

About N'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 7585030) has the molecular formula C15H19ClFN3O3 and a molecular weight of 343.79 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID7585030
Molecular FormulaC15H19ClFN3O3
Molecular Weight343.79 g/mol
Exact Mass343.11
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H19ClFN3O3/c16-12-10-11(2-3-13(12)17)19-15(22)14(21)18-4-1-5-20-6-8-23-9-7-20/h2-3,10H,1,4-9H2,(H,18,21)(H,19,22)
InChIKeyWRSHDXXHCPUKRW-UHFFFAOYSA-N
XLogP1.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 51.26
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 7585030) is N'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is WRSHDXXHCPUKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O3/c16-12-10-11(2-3-13(12)17)19-15(22)14(21)18-4-1-5-20-6-8-23-9-7-20/h2-3,10H,1,4-9H2,(H,18,21)(H,19,22).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 343.79 g/mol, XLogP of 1.26, 5 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-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 7585030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).