N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide

C15H22ClN3O2 — CID 43592372

IUPACN-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1N)N1CCOC(C)(C)C1
InChIInChI=1S/C15H22ClN3O2/c1-10(19-6-7-21-15(2,3)9-19)14(20)18-13-5-4-11(16)8-12(13)17/h4-5,8,10H,6-7,9,17H2,1-3H3,(H,18,20)
InChIKeyAFGGIXRUJXZGDO-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.36
Rot. Bonds3

About N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide

N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide (PubChem CID 43592372) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
PubChem CID43592372
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1N)N1CCOC(C)(C)C1
InChIInChI=1S/C15H22ClN3O2/c1-10(19-6-7-21-15(2,3)9-19)14(20)18-13-5-4-11(16)8-12(13)17/h4-5,8,10H,6-7,9,17H2,1-3H3,(H,18,20)
InChIKeyAFGGIXRUJXZGDO-UHFFFAOYSA-N
XLogP2.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290
N-(2,5-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
CID 86984158
N-(3-chloro-2-methylphenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
CID 86984159
N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide
CID 61428323
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778971
2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide
CID 86980480
N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64681530
N-(2-amino-4-methoxyphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355441
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956440
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246069
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide (CID 43592372) is N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide is CC(C(=O)Nc1ccc(Cl)cc1N)N1CCOC(C)(C)C1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide?
The InChIKey is AFGGIXRUJXZGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(19-6-7-21-15(2,3)9-19)14(20)18-13-5-4-11(16)8-12(13)17/h4-5,8,10H,6-7,9,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide?
N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide has a molecular weight of 311.81 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 43592372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).