N-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide

C11H12BrClN2O2 — CID 6464492

IUPACN-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide
SMILESC1COCCN1C(=O)NC2=C(C=C(C=C2)Br)Cl
InChIInChI=1S/C11H12BrClN2O2/c12-8-1-2-10(9(13)7-8)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16)
InChIKeySSZBXNLMXDTDKL-UHFFFAOYSA-N
MW319.58 g/mol
LogP1.90
Rot. Bonds1

About N-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide

N-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide (PubChem CID 6464492) has the molecular formula C11H12BrClN2O2 and a molecular weight of 319.58 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide
PubChem CID6464492
Molecular FormulaC11H12BrClN2O2
Molecular Weight319.58 g/mol
Exact Mass317.98
IUPAC NameN-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide
SMILESC1COCCN1C(=O)NC2=C(C=C(C=C2)Br)Cl
InChIInChI=1S/C11H12BrClN2O2/c12-8-1-2-10(9(13)7-8)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16)
InChIKeySSZBXNLMXDTDKL-UHFFFAOYSA-N
XLogP1.90
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity274

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.58
LogP ≤ 51.90
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)morpholine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide (CID 6464492) is N-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide is C1COCCN1C(=O)NC2=C(C=C(C=C2)Br)Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide?
The InChIKey is SSZBXNLMXDTDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O2/c12-8-1-2-10(9(13)7-8)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H,14,16).
What are the key properties of N-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide?
N-(4-bromo-2-chlorophenyl)morpholine-4-carboxamide has a molecular weight of 319.58 g/mol, XLogP of 1.90, 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)morpholine-4-carboxamide is sourced from PubChem (CID 6464492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).