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

C22H25F3N2O2 — CID 16892603

IUPACN-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCCCN1CCOC(c2ccccc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H25F3N2O2/c23-22(24,25)19-10-6-9-18(15-19)21(28)26-11-4-5-12-27-13-14-29-20(16-27)17-7-2-1-3-8-17/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,26,28)
InChIKeyORDJVGDPEFTRAQ-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.29
Rot. Bonds7

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

N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide (PubChem CID 16892603) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide
PubChem CID16892603
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC NameN-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCCCN1CCOC(c2ccccc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H25F3N2O2/c23-22(24,25)19-10-6-9-18(15-19)21(28)26-11-4-5-12-27-13-14-29-20(16-27)17-7-2-1-3-8-17/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,26,28)
InChIKeyORDJVGDPEFTRAQ-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.29
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
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-difluoro-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 27557872
4-bromo-N-[4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16892637
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
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide (CID 16892603) is N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide is O=C(NCCCCN1CCOC(c2ccccc2)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ORDJVGDPEFTRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c23-22(24,25)19-10-6-9-18(15-19)21(28)26-11-4-5-12-27-13-14-29-20(16-27)17-7-2-1-3-8-17/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,26,28).
What are the key properties of N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide?
N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide has a molecular weight of 406.45 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylmorpholin-4-yl)butyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 16892603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).