3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide

C20H22F2N2O2 — CID 27557872

IUPAC3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
SMILESO=C(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H22F2N2O2/c21-17-8-7-16(13-18(17)22)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)/t19-/m1/s1
InChIKeyKPOFMJJWPKKPNP-LJQANCHMSA-N
MW360.40 g/mol
LogP3.16
Rot. Bonds6

About 3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide

3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide (PubChem CID 27557872) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
PubChem CID27557872
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
SMILESO=C(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H22F2N2O2/c21-17-8-7-16(13-18(17)22)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)/t19-/m1/s1
InChIKeyKPOFMJJWPKKPNP-LJQANCHMSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.16
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

3,4-difluoro-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866429
3-fluoro-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892619
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866535
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
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558
4-ethyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 30851064
N-[4-(2-phenylmorpholin-4-yl)butyl]-4-(trifluoromethyl)benzamide
CID 16892610
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892547
4-methoxy-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27441296
N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide
CID 16892603

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide (CID 27557872) is 3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide is O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
The InChIKey is KPOFMJJWPKKPNP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c21-17-8-7-16(13-18(17)22)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)/t19-/m1/s1.
What are the key properties of 3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide?
3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide has a molecular weight of 360.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide is sourced from PubChem (CID 27557872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).