acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline

C11H14Cl2N2O — CID 175094246

IUPACacetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline
SMILESCC(N)=O.Clc1cc(Cl)c2c(c1)CNCC2
InChIInChI=1S/C9H9Cl2N.C2H5NO/c10-7-3-6-5-12-2-1-8(6)9(11)4-7;1-2(3)4/h3-4,12H,1-2,5H2;1H3,(H2,3,4)
InChIKeyOPAYAVJBSKDOQO-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.13
Rot. Bonds

About acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline

acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 175094246) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Nameacetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline
PubChem CID175094246
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Nameacetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline
SMILESCC(N)=O.Clc1cc(Cl)c2c(c1)CNCC2
InChIInChI=1S/C9H9Cl2N.C2H5NO/c10-7-3-6-5-12-2-1-8(6)9(11)4-7;1-2(3)4/h3-4,12H,1-2,5H2;1H3,(H2,3,4)
InChIKeyOPAYAVJBSKDOQO-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline (CID 175094246) is acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline is CC(N)=O.Clc1cc(Cl)c2c(c1)CNCC2.
What is the InChIKey of acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OPAYAVJBSKDOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N.C2H5NO/c10-7-3-6-5-12-2-1-8(6)9(11)4-7;1-2(3)4/h3-4,12H,1-2,5H2;1H3,(H2,3,4).
What are the key properties of acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline?
acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 261.15 g/mol, XLogP of 2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;5,7-dichloro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 175094246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).