5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

C22H14BrClFN3O2 — CID 41077291

IUPAC5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C22H14BrClFN3O2/c1-12-26-19-5-3-2-4-15(19)22(30)28(12)14-7-9-18(25)20(11-14)27-21(29)16-10-13(23)6-8-17(16)24/h2-11H,1H3,(H,27,29)
InChIKeyVYWYPSOVKKOGQA-UHFFFAOYSA-N
MW486.73 g/mol
LogP5.50
Rot. Bonds3

About 5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (PubChem CID 41077291) has the molecular formula C22H14BrClFN3O2 and a molecular weight of 486.73 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
PubChem CID41077291
Molecular FormulaC22H14BrClFN3O2
Molecular Weight486.73 g/mol
Exact Mass484.99
IUPAC Name5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C22H14BrClFN3O2/c1-12-26-19-5-3-2-4-15(19)22(30)28(12)14-7-9-18(25)20(11-14)27-21(29)16-10-13(23)6-8-17(16)24/h2-11H,1H3,(H,27,29)
InChIKeyVYWYPSOVKKOGQA-UHFFFAOYSA-N
XLogP5.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.73
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077256
2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077195
2,5-dichloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41027687
2-chloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077192
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 41077275
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2,3-dimethoxybenzamide
CID 16830447
2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41077451
3-bromo-N-[2-fluoro-5-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 27543900
(2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide
CID 7593095
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 41077190
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide
CID 7593023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide (CID 41077291) is 5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2cc(Br)ccc2Cl)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
The InChIKey is VYWYPSOVKKOGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrClFN3O2/c1-12-26-19-5-3-2-4-15(19)22(30)28(12)14-7-9-18(25)20(11-14)27-21(29)16-10-13(23)6-8-17(16)24/h2-11H,1H3,(H,27,29).
What are the key properties of 5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide?
5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide has a molecular weight of 486.73 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide is sourced from PubChem (CID 41077291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).