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

C21H23ClFN3O3 — CID 16893053

IUPACN'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H23ClFN3O3/c22-17-13-16(7-8-18(17)23)25-21(28)20(27)24-9-4-10-26-11-12-29-19(14-26)15-5-2-1-3-6-15/h1-3,5-8,13,19H,4,9-12,14H2,(H,24,27)(H,25,28)
InChIKeyYOBHZAMXNFGTJT-UHFFFAOYSA-N
MW419.88 g/mol
LogP3.00
Rot. Bonds6

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

N'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide (PubChem CID 16893053) has the molecular formula C21H23ClFN3O3 and a molecular weight of 419.88 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide
PubChem CID16893053
Molecular FormulaC21H23ClFN3O3
Molecular Weight419.88 g/mol
Exact Mass419.14
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H23ClFN3O3/c22-17-13-16(7-8-18(17)23)25-21(28)20(27)24-9-4-10-26-11-12-29-19(14-26)15-5-2-1-3-6-15/h1-3,5-8,13,19H,4,9-12,14H2,(H,24,27)(H,25,28)
InChIKeyYOBHZAMXNFGTJT-UHFFFAOYSA-N
XLogP3.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 53.00
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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Related Compounds

2-(Benzyloxy)-1-(4-(2-chlorophenyl)piperazin-1-yl)ethanone
CID 24762952
2-(Benzyloxy)-1-(4-(2-chloro-4-fluorophenyl)piperazin-1-yl)ethanone
CID 24763201
2-(Benzyloxy)-1-(4-(4-chlorophenyl)piperazin-1-yl)ethanone
CID 52942601
[3-[4-(3-Chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281064
1-(3-Chlorophenyl)-3-(4-morpholin-2-ylphenyl)urea
CID 53250591
N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[(1-ethyl-2-oxo-4-quinolinyl)oxy]acetamide
CID 3244048
1-(3-Chlorophenyl)-3-[2-(3-phenylmethoxypiperidin-1-yl)ethyl]imidazolidin-2-one
CID 45273529
5-(2-Chlorophenyl)-3-(3-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 90656172
D4R antagonis-2
CID 163322331
2-[4-[(4-chloro-3-fluorophenyl)methoxy]piperidin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 168292271
2-(Benzyloxy)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethanone
CID 52946222
1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-chlorophenyl)piperazine
CID 137643839

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide (CID 16893053) is N'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide is O=C(NCCCN1CCOC(c2ccccc2)C1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide?
The InChIKey is YOBHZAMXNFGTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O3/c22-17-13-16(7-8-18(17)23)25-21(28)20(27)24-9-4-10-26-11-12-29-19(14-26)15-5-2-1-3-6-15/h1-3,5-8,13,19H,4,9-12,14H2,(H,24,27)(H,25,28).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide?
N'-(3-chloro-4-fluorophenyl)-N-[3-(2-phenylmorpholin-4-yl)propyl]oxamide has a molecular weight of 419.88 g/mol, XLogP of 3.00, 6 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-(2-phenylmorpholin-4-yl)propyl]oxamide is sourced from PubChem (CID 16893053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).