N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide

C24H26ClFN2O3 — CID 46059755

IUPACN-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1
InChIInChI=1S/C24H26ClFN2O3/c25-19-9-5-17(6-10-19)23(29)27-13-14-31-22(15-27)16-28(21-3-1-2-4-21)24(30)18-7-11-20(26)12-8-18/h5-12,21-22H,1-4,13-16H2
InChIKeyJYWOXFWKRWCHKG-UHFFFAOYSA-N
MW444.93 g/mol
LogP4.41
Rot. Bonds5

About N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide

N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide (PubChem CID 46059755) has the molecular formula C24H26ClFN2O3 and a molecular weight of 444.93 g/mol. Its IUPAC name is N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide
PubChem CID46059755
Molecular FormulaC24H26ClFN2O3
Molecular Weight444.93 g/mol
Exact Mass444.16
IUPAC NameN-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1
InChIInChI=1S/C24H26ClFN2O3/c25-19-9-5-17(6-10-19)23(29)27-13-14-31-22(15-27)16-28(21-3-1-2-4-21)24(30)18-7-11-20(26)12-8-18/h5-12,21-22H,1-4,13-16H2
InChIKeyJYWOXFWKRWCHKG-UHFFFAOYSA-N
XLogP4.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.93
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide?
The IUPAC name of N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide (CID 46059755) is N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide.
What is the SMILES notation for N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide?
The canonical SMILES for N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide is O=C(c1ccc(Cl)cc1)N1CCOC(CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1.
What is the InChIKey of N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide?
The InChIKey is JYWOXFWKRWCHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O3/c25-19-9-5-17(6-10-19)23(29)27-13-14-31-22(15-27)16-28(21-3-1-2-4-21)24(30)18-7-11-20(26)12-8-18/h5-12,21-22H,1-4,13-16H2.
What are the key properties of N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide?
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide has a molecular weight of 444.93 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-cyclopentyl-4-fluorobenzamide is sourced from PubChem (CID 46059755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).