N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide

C13H18ClN3O2 — CID 16779290

IUPACN-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1N)N1CCOCC1
InChIInChI=1S/C13H18ClN3O2/c1-9(17-4-6-19-7-5-17)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7,15H2,1H3,(H,16,18)
InChIKeyMCZHGCBKKNZOJD-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.58
Rot. Bonds3

About N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide

N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide (PubChem CID 16779290) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
PubChem CID16779290
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1N)N1CCOCC1
InChIInChI=1S/C13H18ClN3O2/c1-9(17-4-6-19-7-5-17)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7,15H2,1H3,(H,16,18)
InChIKeyMCZHGCBKKNZOJD-UHFFFAOYSA-N
XLogP1.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.58
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-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592372
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
N-(2-amino-5-fluorophenyl)-2-morpholin-4-ylpropanamide
CID 110483733
N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64681530
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956440
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
N-(2-amino-5-chlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43246069
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide (CID 16779290) is N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide is CC(C(=O)Nc1ccc(Cl)cc1N)N1CCOCC1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide?
The InChIKey is MCZHGCBKKNZOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9(17-4-6-19-7-5-17)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7,15H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide?
N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide has a molecular weight of 283.76 g/mol, XLogP of 1.58, 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-morpholin-4-ylpropanamide is sourced from PubChem (CID 16779290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).