N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide

C15H22ClN3O2 — CID 16778971

IUPACN-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2ccc(Cl)cc2N)CC(C)O1
InChIInChI=1S/C15H22ClN3O2/c1-9-7-19(8-10(2)21-9)11(3)15(20)18-14-5-4-12(16)6-13(14)17/h4-6,9-11H,7-8,17H2,1-3H3,(H,18,20)
InChIKeyGKCQAKHSFLWUHC-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.36
Rot. Bonds3

About N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide

N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide (PubChem CID 16778971) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
PubChem CID16778971
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2ccc(Cl)cc2N)CC(C)O1
InChIInChI=1S/C15H22ClN3O2/c1-9-7-19(8-10(2)21-9)11(3)15(20)18-14-5-4-12(16)6-13(14)17/h4-6,9-11H,7-8,17H2,1-3H3,(H,18,20)
InChIKeyGKCQAKHSFLWUHC-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-(2,4-dichlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 3893745
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249033
N-(2-amino-4-methoxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779396
N-(4-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778867
N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908
(2S)-N-(2,4-difluorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249053
(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
N-(5-amino-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779419
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956440
(2R)-N-(2,4-dichlorophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319171

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide (CID 16778971) is N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide is CC1CN(C(C)C(=O)Nc2ccc(Cl)cc2N)CC(C)O1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
The InChIKey is GKCQAKHSFLWUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-9-7-19(8-10(2)21-9)11(3)15(20)18-14-5-4-12(16)6-13(14)17/h4-6,9-11H,7-8,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide?
N-(2-amino-4-chlorophenyl)-2-(2,6-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-(2,6-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 16778971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).