N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide

C15H22ClN3O2 — CID 43541661

IUPACN-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide
SMILESCC1COCCN1CCCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-11-10-21-8-7-19(11)6-2-3-15(20)18-14-5-4-12(17)9-13(14)16/h4-5,9,11H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyCTWJIYSKVJZBDC-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.36
Rot. Bonds5

About N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide

N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide (PubChem CID 43541661) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide
PubChem CID43541661
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide
SMILESCC1COCCN1CCCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-11-10-21-8-7-19(11)6-2-3-15(20)18-14-5-4-12(17)9-13(14)16/h4-5,9,11H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyCTWJIYSKVJZBDC-UHFFFAOYSA-N
XLogP2.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541688
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541694
N-(4-amino-2-chlorophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62986506
N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide
CID 103355525
N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 16779127
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152
N-(4-amino-2-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)acetamide
CID 114537216
N-(4-amino-2-chlorophenyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 61236635
N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43287032
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide (CID 43541661) is N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide is CC1COCCN1CCCC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide?
The InChIKey is CTWJIYSKVJZBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-11-10-21-8-7-19(11)6-2-3-15(20)18-14-5-4-12(17)9-13(14)16/h4-5,9,11H,2-3,6-8,10,17H2,1H3,(H,18,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide?
N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide has a molecular weight of 311.81 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide is sourced from PubChem (CID 43541661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).