N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

C15H18ClFN2O3 — CID 113128120

IUPACN-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H18ClFN2O3/c1-11(20)19(12-2-3-14(17)13(16)10-12)5-4-15(21)18-6-8-22-9-7-18/h2-3,10H,4-9H2,1H3
InChIKeyONTSZFTVBDOSDI-UHFFFAOYSA-N
MW328.77 g/mol
LogP2.08
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (PubChem CID 113128120) has the molecular formula C15H18ClFN2O3 and a molecular weight of 328.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
PubChem CID113128120
Molecular FormulaC15H18ClFN2O3
Molecular Weight328.77 g/mol
Exact Mass328.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H18ClFN2O3/c1-11(20)19(12-2-3-14(17)13(16)10-12)5-4-15(21)18-6-8-22-9-7-18/h2-3,10H,4-9H2,1H3
InChIKeyONTSZFTVBDOSDI-UHFFFAOYSA-N
XLogP2.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113127190
N-(3,5-dichlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113134062
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132985
N-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132829
N-(4-ethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113125340
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113135507
N-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 113172652
N-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132119
N-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 2991987
N-(4-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113143872
N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113144245

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (CID 113128120) is N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is CC(=O)N(CCC(=O)N1CCOCC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The InChIKey is ONTSZFTVBDOSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O3/c1-11(20)19(12-2-3-14(17)13(16)10-12)5-4-15(21)18-6-8-22-9-7-18/h2-3,10H,4-9H2,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide has a molecular weight of 328.77 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is sourced from PubChem (CID 113128120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).