N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide

C21H25FN2O2 — CID 51163258

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c1C
InChIInChI=1S/C21H25FN2O2/c1-15-4-3-5-19(16(15)2)21(25)23-14-20(24-10-12-26-13-11-24)17-6-8-18(22)9-7-17/h3-9,20H,10-14H2,1-2H3,(H,23,25)
InChIKeyGSEDMPDTYNMDHB-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.25
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide (PubChem CID 51163258) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
PubChem CID51163258
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c1C
InChIInChI=1S/C21H25FN2O2/c1-15-4-3-5-19(16(15)2)21(25)23-14-20(24-10-12-26-13-11-24)17-6-8-18(22)9-7-17/h3-9,20H,10-14H2,1-2H3,(H,23,25)
InChIKeyGSEDMPDTYNMDHB-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide (CID 51163258) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c1C.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide?
The InChIKey is GSEDMPDTYNMDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-15-4-3-5-19(16(15)2)21(25)23-14-20(24-10-12-26-13-11-24)17-6-8-18(22)9-7-17/h3-9,20H,10-14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide has a molecular weight of 356.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 51163258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).