2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide

C21H22ClFN2O3 — CID 16894866

IUPAC2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide
SMILESO=C(NCCCC(=O)N1CCOC(c2ccccc2)C1)c1c(F)cccc1Cl
InChIInChI=1S/C21H22ClFN2O3/c22-16-8-4-9-17(23)20(16)21(27)24-11-5-10-19(26)25-12-13-28-18(14-25)15-6-2-1-3-7-15/h1-4,6-9,18H,5,10-14H2,(H,24,27)
InChIKeyOINXWAFQONPONA-UHFFFAOYSA-N
MW404.87 g/mol
LogP3.59
Rot. Bonds6

About 2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide

2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide (PubChem CID 16894866) has the molecular formula C21H22ClFN2O3 and a molecular weight of 404.87 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide
PubChem CID16894866
Molecular FormulaC21H22ClFN2O3
Molecular Weight404.87 g/mol
Exact Mass404.13
IUPAC Name2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide
SMILESO=C(NCCCC(=O)N1CCOC(c2ccccc2)C1)c1c(F)cccc1Cl
InChIInChI=1S/C21H22ClFN2O3/c22-16-8-4-9-17(23)20(16)21(27)24-11-5-10-19(26)25-12-13-28-18(14-25)15-6-2-1-3-7-15/h1-4,6-9,18H,5,10-14H2,(H,24,27)
InChIKeyOINXWAFQONPONA-UHFFFAOYSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
2-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzenesulfonamide
CID 16895165
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440
N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895035
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
CID 16895045
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
CID 16894872
2,5-dichloro-N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 30851129
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
2-chloro-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866428
N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895016
2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894900
2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide (CID 16894866) is 2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide is O=C(NCCCC(=O)N1CCOC(c2ccccc2)C1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide?
The InChIKey is OINXWAFQONPONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O3/c22-16-8-4-9-17(23)20(16)21(27)24-11-5-10-19(26)25-12-13-28-18(14-25)15-6-2-1-3-7-15/h1-4,6-9,18H,5,10-14H2,(H,24,27).
What are the key properties of 2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide?
2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide has a molecular weight of 404.87 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide is sourced from PubChem (CID 16894866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).