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

C20H21FN2O3 — CID 110353024

IUPACN-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
SMILESCC1(C)COCCN1C(=O)c1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C20H21FN2O3/c1-20(2)13-26-11-10-23(20)19(25)14-6-5-7-15(12-14)22-18(24)16-8-3-4-9-17(16)21/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyUSTAGYOCRATWAV-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.33
Rot. Bonds3

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

N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide (PubChem CID 110353024) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
PubChem CID110353024
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
SMILESCC1(C)COCCN1C(=O)c1cccc(NC(=O)c2ccccc2F)c1
InChIInChI=1S/C20H21FN2O3/c1-20(2)13-26-11-10-23(20)19(25)14-6-5-7-15(12-14)22-18(24)16-8-3-4-9-17(16)21/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyUSTAGYOCRATWAV-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea
CID 51095578
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,3,4-trifluorobenzamide
CID 110352811
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide
CID 110353014
2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158103
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
2,3,4-trifluoro-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 110352884
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide
CID 110352783
(3,3-dimethylmorpholin-4-yl)-[2-(methylamino)phenyl]methanone
CID 61428483
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dimethylbenzamide
CID 110352784
2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205432

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide (CID 110353024) is N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide is CC1(C)COCCN1C(=O)c1cccc(NC(=O)c2ccccc2F)c1.
What is the InChIKey of N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide?
The InChIKey is USTAGYOCRATWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-20(2)13-26-11-10-23(20)19(25)14-6-5-7-15(12-14)22-18(24)16-8-3-4-9-17(16)21/h3-9,12H,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide?
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide has a molecular weight of 356.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 110353024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).