N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide

C21H22ClFN2O2 — CID 86699761

IUPACN-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide
SMILESC=C(C)c1cc(N2CCOCC2)cc(F)c1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClFN2O2/c1-14(2)18-11-17(25-7-9-27-10-8-25)12-19(23)20(18)21(26)24-13-15-3-5-16(22)6-4-15/h3-6,11-12H,1,7-10,13H2,2H3,(H,24,26)
InChIKeyJJPFCOOGGWPCOY-UHFFFAOYSA-N
MW388.87 g/mol
LogP4.28
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide

N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide (PubChem CID 86699761) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide
PubChem CID86699761
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide
SMILESC=C(C)c1cc(N2CCOCC2)cc(F)c1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClFN2O2/c1-14(2)18-11-17(25-7-9-27-10-8-25)12-19(23)20(18)21(26)24-13-15-3-5-16(22)6-4-15/h3-6,11-12H,1,7-10,13H2,2H3,(H,24,26)
InChIKeyJJPFCOOGGWPCOY-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide (CID 86699761) is N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide is C=C(C)c1cc(N2CCOCC2)cc(F)c1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide?
The InChIKey is JJPFCOOGGWPCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c1-14(2)18-11-17(25-7-9-27-10-8-25)12-19(23)20(18)21(26)24-13-15-3-5-16(22)6-4-15/h3-6,11-12H,1,7-10,13H2,2H3,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide?
N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide has a molecular weight of 388.87 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-fluoro-4-morpholin-4-yl-6-prop-1-en-2-ylbenzamide is sourced from PubChem (CID 86699761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).