2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide

C15H9ClFN3O2 — CID 3242645

IUPAC2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
SMILESO=C(Nn1cnc2ccccc2c1=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H9ClFN3O2/c16-12-7-9(17)5-6-10(12)14(21)19-20-8-18-13-4-2-1-3-11(13)15(20)22/h1-8H,(H,19,21)
InChIKeyMFNJARHEBRBCTA-UHFFFAOYSA-N
MW317.71 g/mol
LogP2.57
Rot. Bonds2

About 2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide

2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 3242645) has the molecular formula C15H9ClFN3O2 and a molecular weight of 317.71 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
PubChem CID3242645
Molecular FormulaC15H9ClFN3O2
Molecular Weight317.71 g/mol
Exact Mass317.04
IUPAC Name2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
SMILESO=C(Nn1cnc2ccccc2c1=O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H9ClFN3O2/c16-12-7-9(17)5-6-10(12)14(21)19-20-8-18-13-4-2-1-3-11(13)15(20)22/h1-8H,(H,19,21)
InChIKeyMFNJARHEBRBCTA-UHFFFAOYSA-N
XLogP2.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.71
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135429916
CID 135429916
CID 677888
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CID 742904
CID 742904
CID 2810151
CID 2810151
CID 4374041
CID 4374041
CID 5212758
CID 5212758
CID 137652745
CID 137652745
CID 8005187
CID 8005187
CID 849796
CID 849796
CID 3632726
CID 3632726
CID 6083389
CID 6083389
CID 135857720
CID 135857720

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide (CID 3242645) is 2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide is O=C(Nn1cnc2ccccc2c1=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is MFNJARHEBRBCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O2/c16-12-7-9(17)5-6-10(12)14(21)19-20-8-18-13-4-2-1-3-11(13)15(20)22/h1-8H,(H,19,21).
What are the key properties of 2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide?
2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 317.71 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 3242645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).