2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide

C19H17F3N2O3 — CID 110352884

IUPAC2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide
SMILESCC1COCCN1C(=O)c1cccc(NC(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C19H17F3N2O3/c1-11-10-27-8-7-24(11)19(26)12-3-2-4-13(9-12)23-18(25)14-5-6-15(20)17(22)16(14)21/h2-6,9,11H,7-8,10H2,1H3,(H,23,25)
InChIKeyITJMVLIRVWJUTE-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.22
Rot. Bonds3

About 2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide

2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide (PubChem CID 110352884) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide
PubChem CID110352884
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide
SMILESCC1COCCN1C(=O)c1cccc(NC(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C19H17F3N2O3/c1-11-10-27-8-7-24(11)19(26)12-3-2-4-13(9-12)23-18(25)14-5-6-15(20)17(22)16(14)21/h2-6,9,11H,7-8,10H2,1H3,(H,23,25)
InChIKeyITJMVLIRVWJUTE-UHFFFAOYSA-N
XLogP3.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.22
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

1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110352872
2-(4-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352861
2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352840
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362363
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-(3-methylphenyl)acetamide
CID 110671847
2-(2-chlorophenyl)-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671851
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110671836
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
CID 110353024
(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone
CID 110614469
(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
CID 110352811

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide (CID 110352884) is 2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide is CC1COCCN1C(=O)c1cccc(NC(=O)c2ccc(F)c(F)c2F)c1.
What is the InChIKey of 2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is ITJMVLIRVWJUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-11-10-27-8-7-24(11)19(26)12-3-2-4-13(9-12)23-18(25)14-5-6-15(20)17(22)16(14)21/h2-6,9,11H,7-8,10H2,1H3,(H,23,25).
What are the key properties of 2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide?
2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 378.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 110352884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).