(2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide

C14H19ClN2O2 — CID 51670668

IUPAC(2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Cl)cc1N1CCOCC1
InChIInChI=1S/C14H19ClN2O2/c1-10-3-4-12(16-14(18)11(2)15)9-13(10)17-5-7-19-8-6-17/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyIKHIBMJJOIPFFG-LLVKDONJSA-N
MW282.77 g/mol
LogP2.40
Rot. Bonds3

About (2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide

(2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide (PubChem CID 51670668) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide
PubChem CID51670668
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Cl)cc1N1CCOCC1
InChIInChI=1S/C14H19ClN2O2/c1-10-3-4-12(16-14(18)11(2)15)9-13(10)17-5-7-19-8-6-17/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyIKHIBMJJOIPFFG-LLVKDONJSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896215
(2S)-2-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)propanamide
CID 51670700
N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
(2R)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 8725307
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid
CID 146133334
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8591268
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide
CID 46977366

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide (CID 51670668) is (2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)Cl)cc1N1CCOCC1.
What is the InChIKey of (2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide?
The InChIKey is IKHIBMJJOIPFFG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-3-4-12(16-14(18)11(2)15)9-13(10)17-5-7-19-8-6-17/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide?
(2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide has a molecular weight of 282.77 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-(4-methyl-3-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 51670668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).