3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide

C21H25ClN2O2 — CID 51866535

IUPAC3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
SMILESO=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c22-19-10-6-9-18(15-19)21(25)23-11-4-5-12-24-13-14-26-20(16-24)17-7-2-1-3-8-17/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,23,25)/t20-/m1/s1
InChIKeyVDLGKGOXZBUNQO-HXUWFJFHSA-N
MW372.90 g/mol
LogP3.92
Rot. Bonds7

About 3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide

3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide (PubChem CID 51866535) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
PubChem CID51866535
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
SMILESO=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c22-19-10-6-9-18(15-19)21(25)23-11-4-5-12-24-13-14-26-20(16-24)17-7-2-1-3-8-17/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,23,25)/t20-/m1/s1
InChIKeyVDLGKGOXZBUNQO-HXUWFJFHSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.92
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

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
3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892568
N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide
CID 16892603
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558
3,4-difluoro-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866429
4-methyl-3-nitro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892657
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-propylbenzamide
CID 16892629
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide (CID 51866535) is 3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide is O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide?
The InChIKey is VDLGKGOXZBUNQO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-19-10-6-9-18(15-19)21(25)23-11-4-5-12-24-13-14-26-20(16-24)17-7-2-1-3-8-17/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,23,25)/t20-/m1/s1.
What are the key properties of 3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide?
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide is sourced from PubChem (CID 51866535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).