N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

C15H19ClN2O3 — CID 113127190

IUPACN-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-12(19)18(14-4-2-3-13(16)11-14)6-5-15(20)17-7-9-21-10-8-17/h2-4,11H,5-10H2,1H3
InChIKeyHSDRVCVQCLKMFQ-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.94
Rot. Bonds4

About N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide

N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (PubChem CID 113127190) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
PubChem CID113127190
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-12(19)18(14-4-2-3-13(16)11-14)6-5-15(20)17-7-9-21-10-8-17/h2-4,11H,5-10H2,1H3
InChIKeyHSDRVCVQCLKMFQ-UHFFFAOYSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide (CID 113127190) is N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is CC(=O)N(CCC(=O)N1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
The InChIKey is HSDRVCVQCLKMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-12(19)18(14-4-2-3-13(16)11-14)6-5-15(20)17-7-9-21-10-8-17/h2-4,11H,5-10H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide?
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide has a molecular weight of 310.78 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide is sourced from PubChem (CID 113127190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).