N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide

C17H12Cl3N3O2 — CID 4641621

IUPACN-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
SMILESO=C(COc1ncnc2c(Cl)cc(Cl)cc12)NCc1cccc(Cl)c1
InChIInChI=1S/C17H12Cl3N3O2/c18-11-3-1-2-10(4-11)7-21-15(24)8-25-17-13-5-12(19)6-14(20)16(13)22-9-23-17/h1-6,9H,7-8H2,(H,21,24)
InChIKeyUOYRUZLZEPMOPI-UHFFFAOYSA-N
MW396.66 g/mol
LogP4.29
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide

N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide (PubChem CID 4641621) has the molecular formula C17H12Cl3N3O2 and a molecular weight of 396.66 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
PubChem CID4641621
Molecular FormulaC17H12Cl3N3O2
Molecular Weight396.66 g/mol
Exact Mass395.00
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
SMILESO=C(COc1ncnc2c(Cl)cc(Cl)cc12)NCc1cccc(Cl)c1
InChIInChI=1S/C17H12Cl3N3O2/c18-11-3-1-2-10(4-11)7-21-15(24)8-25-17-13-5-12(19)6-14(20)16(13)22-9-23-17/h1-6,9H,7-8H2,(H,21,24)
InChIKeyUOYRUZLZEPMOPI-UHFFFAOYSA-N
XLogP4.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.66
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 3440020
2-(6,8-dichloroquinazolin-4-yl)oxy-N-ethylacetamide
CID 2415100
N-[2-(4-chlorophenyl)ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 4262025
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 46321883
2-(6,8-dichloroquinazolin-4-yl)oxy-N-naphthalen-2-ylacetamide
CID 4005082
2-(6,8-dichloroquinazolin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 2704087
2-(6,8-dichloroquinazolin-4-yl)oxy-N-(2,5-dimethylphenyl)acetamide
CID 8012479
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
N-(tert-butylcarbamoyl)-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 2704065
2-(6,8-dichloroquinazolin-4-yl)oxy-N-(4-ethoxyphenyl)acetamide
CID 4310600
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17071179

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide (CID 4641621) is N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide is O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The InChIKey is UOYRUZLZEPMOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O2/c18-11-3-1-2-10(4-11)7-21-15(24)8-25-17-13-5-12(19)6-14(20)16(13)22-9-23-17/h1-6,9H,7-8H2,(H,21,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide has a molecular weight of 396.66 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide is sourced from PubChem (CID 4641621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).