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

C14H17ClN2O4 — CID 108943532

IUPACN-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
SMILESCOc1ccc(NC(=O)CC(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C14H17ClN2O4/c1-20-12-3-2-10(8-11(12)15)16-13(18)9-14(19)17-4-6-21-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,16,18)
InChIKeyMMNFVYPJFYOBRS-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.54
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide (PubChem CID 108943532) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
PubChem CID108943532
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
SMILESCOc1ccc(NC(=O)CC(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C14H17ClN2O4/c1-20-12-3-2-10(8-11(12)15)16-13(18)9-14(19)17-4-6-21-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,16,18)
InChIKeyMMNFVYPJFYOBRS-UHFFFAOYSA-N
XLogP1.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711400
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide
CID 53149642
methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108943555
N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943524
N-(3-chloro-4-methoxyphenyl)-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096074
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
N-(3-chloro-4-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27017330
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113117750
N-(3-chloro-4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915267

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide (CID 108943532) is N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide is COc1ccc(NC(=O)CC(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide?
The InChIKey is MMNFVYPJFYOBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-20-12-3-2-10(8-11(12)15)16-13(18)9-14(19)17-4-6-21-7-5-17/h2-3,8H,4-7,9H2,1H3,(H,16,18).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide?
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide has a molecular weight of 312.75 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide is sourced from PubChem (CID 108943532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).