5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide

C20H22BrClN2O2 — CID 16892507

IUPAC5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H22BrClN2O2/c21-16-7-8-18(22)17(13-16)20(25)23-9-4-10-24-11-12-26-19(14-24)15-5-2-1-3-6-15/h1-3,5-8,13,19H,4,9-12,14H2,(H,23,25)
InChIKeyMGSXYPKVUUTMEN-UHFFFAOYSA-N
MW437.77 g/mol
LogP4.30
Rot. Bonds6

About 5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide

5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide (PubChem CID 16892507) has the molecular formula C20H22BrClN2O2 and a molecular weight of 437.77 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
PubChem CID16892507
Molecular FormulaC20H22BrClN2O2
Molecular Weight437.77 g/mol
Exact Mass436.06
IUPAC Name5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
SMILESO=C(NCCCN1CCOC(c2ccccc2)C1)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H22BrClN2O2/c21-16-7-8-18(22)17(13-16)20(25)23-9-4-10-24-11-12-26-19(14-24)15-5-2-1-3-6-15/h1-3,5-8,13,19H,4,9-12,14H2,(H,23,25)
InChIKeyMGSXYPKVUUTMEN-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.77
LogP ≤ 54.30
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-chloro-5-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892605
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
2-chloro-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866428
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866535
2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide
CID 16892536
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619
3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 51866491
2-methoxy-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866530
3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892568

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide (CID 16892507) is 5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide is O=C(NCCCN1CCOC(c2ccccc2)C1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
The InChIKey is MGSXYPKVUUTMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrClN2O2/c21-16-7-8-18(22)17(13-16)20(25)23-9-4-10-24-11-12-26-19(14-24)15-5-2-1-3-6-15/h1-3,5-8,13,19H,4,9-12,14H2,(H,23,25).
What are the key properties of 5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide?
5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide has a molecular weight of 437.77 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide is sourced from PubChem (CID 16892507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).