N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide

C14H17ClN4O2 — CID 79663166

IUPACN-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
SMILESN#CC1CN(CCC(=O)Nc2cc(Cl)ccc2N)CCO1
InChIInChI=1S/C14H17ClN4O2/c15-10-1-2-12(17)13(7-10)18-14(20)3-4-19-5-6-21-11(8-16)9-19/h1-2,7,11H,3-6,9,17H2,(H,18,20)
InChIKeyMTEQPJDGMGMBFG-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.48
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide

N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide (PubChem CID 79663166) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
PubChem CID79663166
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC NameN-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
SMILESN#CC1CN(CCC(=O)Nc2cc(Cl)ccc2N)CCO1
InChIInChI=1S/C14H17ClN4O2/c15-10-1-2-12(17)13(7-10)18-14(20)3-4-19-5-6-21-11(8-16)9-19/h1-2,7,11H,3-6,9,17H2,(H,18,20)
InChIKeyMTEQPJDGMGMBFG-UHFFFAOYSA-N
XLogP1.48
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide
CID 81195028
N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
CID 79665814
N-(2-amino-5-chlorophenyl)-2-(1,4-oxazepan-4-yl)acetamide
CID 62987910
N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882013
N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
CID 79663611
N-(2-amino-4-chlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779484
N-(2-amino-5-chlorophenyl)-3-(2-oxopiperidin-1-yl)propanamide
CID 28823865
4-(2-cyanomorpholin-4-yl)butanehydrazide
CID 79680995
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
CID 79663165
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide (CID 79663166) is N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide is N#CC1CN(CCC(=O)Nc2cc(Cl)ccc2N)CCO1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide?
The InChIKey is MTEQPJDGMGMBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-10-1-2-12(17)13(7-10)18-14(20)3-4-19-5-6-21-11(8-16)9-19/h1-2,7,11H,3-6,9,17H2,(H,18,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide?
N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide has a molecular weight of 308.77 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide is sourced from PubChem (CID 79663166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).