N-(3-chlorophenyl)morpholine-4-carboxamide

C11H13ClN2O2 — CID 707647

IUPACN-(3-chlorophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C11H13ClN2O2/c12-9-2-1-3-10(8-9)13-11(15)14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15)
InChIKeyLUNHYLVUBLLZMK-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.20
Rot. Bonds1

About N-(3-chlorophenyl)morpholine-4-carboxamide

N-(3-chlorophenyl)morpholine-4-carboxamide (PubChem CID 707647) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)morpholine-4-carboxamide
PubChem CID707647
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-(3-chlorophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C11H13ClN2O2/c12-9-2-1-3-10(8-9)13-11(15)14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15)
InChIKeyLUNHYLVUBLLZMK-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)morpholine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)morpholine-4-carboxamide (CID 707647) is N-(3-chlorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)morpholine-4-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of N-(3-chlorophenyl)morpholine-4-carboxamide?
The InChIKey is LUNHYLVUBLLZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-2-1-3-10(8-9)13-11(15)14-4-6-16-7-5-14/h1-3,8H,4-7H2,(H,13,15).
What are the key properties of N-(3-chlorophenyl)morpholine-4-carboxamide?
N-(3-chlorophenyl)morpholine-4-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 707647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).