N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C16H11ClFN3O2 — CID 51363052

IUPACN-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C16H11ClFN3O2/c17-12-6-5-10(18)7-14(12)20-15(22)8-21-9-19-13-4-2-1-3-11(13)16(21)23/h1-7,9H,8H2,(H,20,22)
InChIKeySJOWTHYZCTZDPM-UHFFFAOYSA-N
MW331.73 g/mol
LogP2.83
Rot. Bonds3

About N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 51363052) has the molecular formula C16H11ClFN3O2 and a molecular weight of 331.73 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID51363052
Molecular FormulaC16H11ClFN3O2
Molecular Weight331.73 g/mol
Exact Mass331.05
IUPAC NameN-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C16H11ClFN3O2/c17-12-6-5-10(18)7-14(12)20-15(22)8-21-9-19-13-4-2-1-3-11(13)16(21)23/h1-7,9H,8H2,(H,20,22)
InChIKeySJOWTHYZCTZDPM-UHFFFAOYSA-N
XLogP2.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 9440401
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)acetamide
CID 4193609
N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 21231739
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995
N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 46666719
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 55321089
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 6209329
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7910774
N-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 15994100

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 51363052) is N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SJOWTHYZCTZDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2/c17-12-6-5-10(18)7-14(12)20-15(22)8-21-9-19-13-4-2-1-3-11(13)16(21)23/h1-7,9H,8H2,(H,20,22).
What are the key properties of N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 331.73 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51363052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).