N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide

C14H17ClN2O3 — CID 108943529

IUPACN-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
SMILESCc1ccc(NC(=O)CC(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-10-2-3-11(8-12(10)15)16-13(18)9-14(19)17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,16,18)
InChIKeyZMWIHBCUIIQWKL-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.84
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide

N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide (PubChem CID 108943529) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
PubChem CID108943529
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
SMILESCc1ccc(NC(=O)CC(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-10-2-3-11(8-12(10)15)16-13(18)9-14(19)17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,16,18)
InChIKeyZMWIHBCUIIQWKL-UHFFFAOYSA-N
XLogP1.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.84
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

N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942043
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943532
N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943524
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 3655921
methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108943555
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)-3-oxopropanamide
CID 108944949
2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 4591298
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30628130
1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea
CID 71858414
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide (CID 108943529) is N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide is Cc1ccc(NC(=O)CC(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide?
The InChIKey is ZMWIHBCUIIQWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-10-2-3-11(8-12(10)15)16-13(18)9-14(19)17-4-6-20-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,16,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide?
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide has a molecular weight of 296.75 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide is sourced from PubChem (CID 108943529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).