4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide

C21H25BrN2O2 — CID 16892637

IUPAC4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
SMILESO=C(NCCCCN1CCOC(c2ccccc2)C1)c1ccc(Br)cc1
InChIInChI=1S/C21H25BrN2O2/c22-19-10-8-18(9-11-19)21(25)23-12-4-5-13-24-14-15-26-20(16-24)17-6-2-1-3-7-17/h1-3,6-11,20H,4-5,12-16H2,(H,23,25)
InChIKeyYPGQOUMTODRWNJ-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.03
Rot. Bonds7

About 4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide

4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide (PubChem CID 16892637) has the molecular formula C21H25BrN2O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
PubChem CID16892637
Molecular FormulaC21H25BrN2O2
Molecular Weight417.35 g/mol
Exact Mass416.11
IUPAC Name4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
SMILESO=C(NCCCCN1CCOC(c2ccccc2)C1)c1ccc(Br)cc1
InChIInChI=1S/C21H25BrN2O2/c22-19-10-8-18(9-11-19)21(25)23-12-4-5-13-24-14-15-26-20(16-24)17-6-2-1-3-7-17/h1-3,6-11,20H,4-5,12-16H2,(H,23,25)
InChIKeyYPGQOUMTODRWNJ-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.03
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

N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide
CID 16892629
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
4-ethoxy-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892642
4-ethoxy-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866537
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296
4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892547
N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]-4-propylbenzamide
CID 51866471
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866535
5-bromo-2-chloro-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892507
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide (CID 16892637) is 4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide is O=C(NCCCCN1CCOC(c2ccccc2)C1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide?
The InChIKey is YPGQOUMTODRWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O2/c22-19-10-8-18(9-11-19)21(25)23-12-4-5-13-24-14-15-26-20(16-24)17-6-2-1-3-7-17/h1-3,6-11,20H,4-5,12-16H2,(H,23,25).
What are the key properties of 4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide?
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide has a molecular weight of 417.35 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide is sourced from PubChem (CID 16892637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).