N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide

C13H15ClN2O3 — CID 108943524

IUPACN-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
SMILESO=C(CC(=O)N1CCOCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c14-10-2-1-3-11(8-10)15-12(17)9-13(18)16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H,15,17)
InChIKeyXRXSNIMJSLHQTH-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.53
Rot. Bonds3

About N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide

N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide (PubChem CID 108943524) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
PubChem CID108943524
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
SMILESO=C(CC(=O)N1CCOCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c14-10-2-1-3-11(8-10)15-12(17)9-13(18)16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H,15,17)
InChIKeyXRXSNIMJSLHQTH-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944416
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943532
N-(3-chlorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 115745385
(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 8774686
N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 47102072
N-(3-chlorophenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378667
N-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazole-1-carboxamide
CID 671243
N-(3-chlorophenyl)-5-(4-morpholin-4-yl-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
CID 46320237
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
CID 34905366

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide?
The IUPAC name of N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide (CID 108943524) is N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide is O=C(CC(=O)N1CCOCC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide?
The InChIKey is XRXSNIMJSLHQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-2-1-3-11(8-10)15-12(17)9-13(18)16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H,15,17).
What are the key properties of N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide?
N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide has a molecular weight of 282.73 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide is sourced from PubChem (CID 108943524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).