N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide

C18H16FN3O3 — CID 167882426

IUPACN-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc2c1=O)c1ccc(CF)cc1
InChIInChI=1S/C18H16FN3O3/c19-11-12-5-7-13(8-6-12)16(23)20-9-10-22-17(24)14-3-1-2-4-15(14)21-18(22)25/h1-8H,9-11H2,(H,20,23)(H,21,25)
InChIKeyHBPPOELTKFORPS-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.59
Rot. Bonds5

About N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide

N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide (PubChem CID 167882426) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide
PubChem CID167882426
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide
SMILESO=C(NCCn1c(=O)[nH]c2ccccc2c1=O)c1ccc(CF)cc1
InChIInChI=1S/C18H16FN3O3/c19-11-12-5-7-13(8-6-12)16(23)20-9-10-22-17(24)14-3-1-2-4-15(14)21-18(22)25/h1-8H,9-11H2,(H,20,23)(H,21,25)
InChIKeyHBPPOELTKFORPS-UHFFFAOYSA-N
XLogP1.59
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 121020867
2,4-dioxo-3-(2-phenylethyl)-N-(2-pyrrolidin-1-ylethyl)-1H-quinazoline-7-carboxamide
CID 3241648
N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylcarbamoyl]phenyl]-3-methylfuran-2-carboxamide
CID 166431161
N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 20785789
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4550261
N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 22588176
methyl 4-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoyl]benzoate
CID 91818452
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110417561
3-[2-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyldisulfanyl]ethyl]-1H-quinazoline-2,4-dione
CID 10411093

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide?
The IUPAC name of N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide (CID 167882426) is N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide?
The canonical SMILES for N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide is O=C(NCCn1c(=O)[nH]c2ccccc2c1=O)c1ccc(CF)cc1.
What is the InChIKey of N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide?
The InChIKey is HBPPOELTKFORPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-11-12-5-7-13(8-6-12)16(23)20-9-10-22-17(24)14-3-1-2-4-15(14)21-18(22)25/h1-8H,9-11H2,(H,20,23)(H,21,25).
What are the key properties of N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide?
N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide has a molecular weight of 341.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide is sourced from PubChem (CID 167882426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).