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

C14H17ClN4O2 — CID 79669975

IUPACN-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(N)c1)N1CCOC(C#N)C1
InChIInChI=1S/C14H17ClN4O2/c1-9(19-4-5-21-11(7-16)8-19)14(20)18-10-2-3-12(15)13(17)6-10/h2-3,6,9,11H,4-5,8,17H2,1H3,(H,18,20)
InChIKeyRKVAYJLHXNSCIK-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.47
Rot. Bonds3

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

N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide (PubChem CID 79669975) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide
PubChem CID79669975
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(N)c1)N1CCOC(C#N)C1
InChIInChI=1S/C14H17ClN4O2/c1-9(19-4-5-21-11(7-16)8-19)14(20)18-10-2-3-12(15)13(17)6-10/h2-3,6,9,11H,4-5,8,17H2,1H3,(H,18,20)
InChIKeyRKVAYJLHXNSCIK-UHFFFAOYSA-N
XLogP1.47
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide (CID 79669975) is N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide is CC(C(=O)Nc1ccc(Cl)c(N)c1)N1CCOC(C#N)C1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide?
The InChIKey is RKVAYJLHXNSCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9(19-4-5-21-11(7-16)8-19)14(20)18-10-2-3-12(15)13(17)6-10/h2-3,6,9,11H,4-5,8,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide?
N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide has a molecular weight of 308.77 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-(2-cyanomorpholin-4-yl)propanamide is sourced from PubChem (CID 79669975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).