N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

C20H20F3N3O3 — CID 58805203

IUPACN-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CCOCC2)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)19(28)25-17-12-15(26-8-10-29-11-9-26)6-7-16(17)18(27)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,24,27)(H,25,28)
InChIKeyONVFABNTOKEVFM-UHFFFAOYSA-N
MW407.39 g/mol
LogP2.95
Rot. Bonds5

About N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 58805203) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID58805203
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC NameN-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CCOCC2)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)19(28)25-17-12-15(26-8-10-29-11-9-26)6-7-16(17)18(27)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,24,27)(H,25,28)
InChIKeyONVFABNTOKEVFM-UHFFFAOYSA-N
XLogP2.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 58805203) is N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is O=C(NCc1ccccc1)c1ccc(N2CCOCC2)cc1NC(=O)C(F)(F)F.
What is the InChIKey of N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is ONVFABNTOKEVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c21-20(22,23)19(28)25-17-12-15(26-8-10-29-11-9-26)6-7-16(17)18(27)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,24,27)(H,25,28).
What are the key properties of N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 407.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 58805203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).