N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide

C21H23FN2O4 — CID 2994763

IUPACN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)cc(C)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C21H23FN2O4/c1-14-11-16(23-21(26)17-5-3-4-6-18(17)22)12-15(2)20(14)28-13-19(25)24-7-9-27-10-8-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
InChIKeyACWPDNUUFNDQQA-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.93
Rot. Bonds5

About N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide

N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide (PubChem CID 2994763) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide
PubChem CID2994763
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)cc(C)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C21H23FN2O4/c1-14-11-16(23-21(26)17-5-3-4-6-18(17)22)12-15(2)20(14)28-13-19(25)24-7-9-27-10-8-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)
InChIKeyACWPDNUUFNDQQA-UHFFFAOYSA-N
XLogP2.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide (CID 2994763) is N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide is Cc1cc(NC(=O)c2ccccc2F)cc(C)c1OCC(=O)N1CCOCC1.
What is the InChIKey of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide?
The InChIKey is ACWPDNUUFNDQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-14-11-16(23-21(26)17-5-3-4-6-18(17)22)12-15(2)20(14)28-13-19(25)24-7-9-27-10-8-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26).
What are the key properties of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide?
N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide has a molecular weight of 386.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 2994763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).