2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide

C17H15F3N2O2 — CID 110362363

IUPAC2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H15F3N2O2/c18-14-5-4-13(15(19)16(14)20)17(23)21-11-2-1-3-12(10-11)22-6-8-24-9-7-22/h1-5,10H,6-9H2,(H,21,23)
InChIKeyHCOASABDABJFEH-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.19
Rot. Bonds3

About 2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide

2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 110362363) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID110362363
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCOCC2)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H15F3N2O2/c18-14-5-4-13(15(19)16(14)20)17(23)21-11-2-1-3-12(10-11)22-6-8-24-9-7-22/h1-5,10H,6-9H2,(H,21,23)
InChIKeyHCOASABDABJFEH-UHFFFAOYSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 87042473
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
N-(3-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 71938580
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110613015
2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 110352884
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide (CID 110362363) is 2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide is O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is HCOASABDABJFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-14-5-4-13(15(19)16(14)20)17(23)21-11-2-1-3-12(10-11)22-6-8-24-9-7-22/h1-5,10H,6-9H2,(H,21,23).
What are the key properties of 2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide?
2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide has a molecular weight of 336.31 g/mol, XLogP of 3.19, 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-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 110362363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).