4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide

C14H17Cl2N3O2 — CID 106890693

IUPAC4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESNc1cc(Cl)c(N2CCOCC2C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C14H17Cl2N3O2/c15-10-5-8(17)6-11(16)13(10)19-3-4-21-7-12(19)14(20)18-9-1-2-9/h5-6,9,12H,1-4,7,17H2,(H,18,20)
InChIKeyGZGODJBMYFQYIL-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.06
Rot. Bonds3

About 4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide

4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 106890693) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID106890693
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESNc1cc(Cl)c(N2CCOCC2C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C14H17Cl2N3O2/c15-10-5-8(17)6-11(16)13(10)19-3-4-21-7-12(19)14(20)18-9-1-2-9/h5-6,9,12H,1-4,7,17H2,(H,18,20)
InChIKeyGZGODJBMYFQYIL-UHFFFAOYSA-N
XLogP2.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.06
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

4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 103518401
4-(6-chloro-4-cyano-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83104855
4-(6-chloropyridazin-3-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102986
4-(4-amino-5-methyl-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83265563
4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83105794
4-(3-amino-5-bromo-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83107189
N-cyclopropyl-4-[6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103920
4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83106502
4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 102814248
4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83099541
4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 107545054
N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide
CID 106529367

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide (CID 106890693) is 4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide is Nc1cc(Cl)c(N2CCOCC2C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is GZGODJBMYFQYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c15-10-5-8(17)6-11(16)13(10)19-3-4-21-7-12(19)14(20)18-9-1-2-9/h5-6,9,12H,1-4,7,17H2,(H,18,20).
What are the key properties of 4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide?
4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 106890693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).