N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide

C20H19F3N2O3 — CID 110352811

IUPACN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
SMILESCC1(C)COCCN1C(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C20H19F3N2O3/c1-20(2)11-28-10-9-25(20)19(27)12-3-5-13(6-4-12)24-18(26)14-7-8-15(21)17(23)16(14)22/h3-8H,9-11H2,1-2H3,(H,24,26)
InChIKeyLKBRGGAQTTZSEM-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.61
Rot. Bonds3

About N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide (PubChem CID 110352811) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
PubChem CID110352811
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
SMILESCC1(C)COCCN1C(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C20H19F3N2O3/c1-20(2)11-28-10-9-25(20)19(27)12-3-5-13(6-4-12)24-18(26)14-7-8-15(21)17(23)16(14)22/h3-8H,9-11H2,1-2H3,(H,24,26)
InChIKeyLKBRGGAQTTZSEM-UHFFFAOYSA-N
XLogP3.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
CID 110352784
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
CID 110353024
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide
CID 110352783
2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94915286
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
CID 110352768
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352818
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61427841
4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine
CID 110352824
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 110352787
2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 110352884

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide (CID 110352811) is N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide is CC1(C)COCCN1C(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide?
The InChIKey is LKBRGGAQTTZSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-20(2)11-28-10-9-25(20)19(27)12-3-5-13(6-4-12)24-18(26)14-7-8-15(21)17(23)16(14)22/h3-8H,9-11H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide?
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide has a molecular weight of 392.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 110352811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).