2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide

C20H17Cl2FN4O — CID 68879740

IUPAC2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ncnc3c(F)cccc23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H17Cl2FN4O/c21-15-5-1-3-13(17(15)22)20(28)26-12-7-9-27(10-8-12)19-14-4-2-6-16(23)18(14)24-11-25-19/h1-6,11-12H,7-10H2,(H,26,28)
InChIKeyATOREAURIYEQEY-UHFFFAOYSA-N
MW419.29 g/mol
LogP4.47
Rot. Bonds3

About 2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide

2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide (PubChem CID 68879740) has the molecular formula C20H17Cl2FN4O and a molecular weight of 419.29 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide
PubChem CID68879740
Molecular FormulaC20H17Cl2FN4O
Molecular Weight419.29 g/mol
Exact Mass418.08
IUPAC Name2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ncnc3c(F)cccc23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H17Cl2FN4O/c21-15-5-1-3-13(17(15)22)20(28)26-12-7-9-27(10-8-12)19-14-4-2-6-16(23)18(14)24-11-25-19/h1-6,11-12H,7-10H2,(H,26,28)
InChIKeyATOREAURIYEQEY-UHFFFAOYSA-N
XLogP4.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide (CID 68879740) is 2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide is O=C(NC1CCN(c2ncnc3c(F)cccc23)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide?
The InChIKey is ATOREAURIYEQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN4O/c21-15-5-1-3-13(17(15)22)20(28)26-12-7-9-27(10-8-12)19-14-4-2-6-16(23)18(14)24-11-25-19/h1-6,11-12H,7-10H2,(H,26,28).
What are the key properties of 2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide?
2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide has a molecular weight of 419.29 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-(8-fluoroquinazolin-4-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 68879740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).