N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide

C20H20F3N3O3 — CID 54833392

IUPACN-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)15-2-1-3-17(12-15)24-13-18(27)25-16-6-4-14(5-7-16)19(28)26-8-10-29-11-9-26/h1-7,12,24H,8-11,13H2,(H,25,27)
InChIKeyBJHWNFPVYZMXFV-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.23
Rot. Bonds5

About N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 54833392) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID54833392
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC NameN-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)15-2-1-3-17(12-15)24-13-18(27)25-16-6-4-14(5-7-16)19(28)26-8-10-29-11-9-26/h1-7,12,24H,8-11,13H2,(H,25,27)
InChIKeyBJHWNFPVYZMXFV-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844558
2-[4-(azepane-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54834910
3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844480
3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844350
2-[4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 54832695
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54830576
N-[4-(morpholine-4-carbonyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 54839830
3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54835179
N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260
2-(2,6-dimethylanilino)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 54818171
2-[4-(morpholine-4-carbonyl)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54832001

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 54833392) is N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is BJHWNFPVYZMXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c21-20(22,23)15-2-1-3-17(12-15)24-13-18(27)25-16-6-4-14(5-7-16)19(28)26-8-10-29-11-9-26/h1-7,12,24H,8-11,13H2,(H,25,27).
What are the key properties of N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 407.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 54833392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).