N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide

C13H16BrClN2O2 — CID 2956092

IUPACN-(4-bromo-2-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(CC(O1)C)C(=O)NC2=C(C=C(C=C2)Br)Cl
InChIInChI=1S/C13H16BrClN2O2/c1-8-6-17(7-9(2)19-8)13(18)16-12-4-3-10(14)5-11(12)15/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)
InChIKeyMEGBMMBSVBVXHN-UHFFFAOYSA-N
MW347.63 g/mol
LogP2.90
Rot. Bonds1

About N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide

N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide (PubChem CID 2956092) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.63 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide
PubChem CID2956092
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.63 g/mol
Exact Mass346.01
IUPAC NameN-(4-bromo-2-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
SMILESCC1CN(CC(O1)C)C(=O)NC2=C(C=C(C=C2)Br)Cl
InChIInChI=1S/C13H16BrClN2O2/c1-8-6-17(7-9(2)19-8)13(18)16-12-4-3-10(14)5-11(12)15/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)
InChIKeyMEGBMMBSVBVXHN-UHFFFAOYSA-N
XLogP2.90
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity322

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.63
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide (CID 2956092) is N-(4-bromo-2-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide is CC1CN(CC(O1)C)C(=O)NC2=C(C=C(C=C2)Br)Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide?
The InChIKey is MEGBMMBSVBVXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-8-6-17(7-9(2)19-8)13(18)16-12-4-3-10(14)5-11(12)15/h3-5,8-9H,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide?
N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide has a molecular weight of 347.63 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2,6-dimethyl-4-morpholinecarboxamide is sourced from PubChem (CID 2956092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).