2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide

C23H16Cl2FN3O3 — CID 41077275

IUPAC2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H16Cl2FN3O3/c1-13-27-19-5-3-2-4-16(19)23(31)29(13)15-7-8-18(26)20(11-15)28-22(30)12-32-21-9-6-14(24)10-17(21)25/h2-11H,12H2,1H3,(H,28,30)
InChIKeyDUOSMCQZFQMVRA-UHFFFAOYSA-N
MW472.30 g/mol
LogP5.16
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide (PubChem CID 41077275) has the molecular formula C23H16Cl2FN3O3 and a molecular weight of 472.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
PubChem CID41077275
Molecular FormulaC23H16Cl2FN3O3
Molecular Weight472.30 g/mol
Exact Mass471.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C23H16Cl2FN3O3/c1-13-27-19-5-3-2-4-16(19)23(31)29(13)15-7-8-18(26)20(11-15)28-22(30)12-32-21-9-6-14(24)10-17(21)25/h2-11H,12H2,1H3,(H,28,30)
InChIKeyDUOSMCQZFQMVRA-UHFFFAOYSA-N
XLogP5.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.30
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 18576712
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxyacetamide
CID 43988539
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077256
(2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide
CID 7593095
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
2-[2-chloro-4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126409511
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]cyclopropanecarboxamide
CID 7593023
3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline
CID 7593132

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide (CID 41077275) is 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide is Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
The InChIKey is DUOSMCQZFQMVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2FN3O3/c1-13-27-19-5-3-2-4-16(19)23(31)29(13)15-7-8-18(26)20(11-15)28-22(30)12-32-21-9-6-14(24)10-17(21)25/h2-11H,12H2,1H3,(H,28,30).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide has a molecular weight of 472.30 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide is sourced from PubChem (CID 41077275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).