N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide

C18H15ClFN3O3 — CID 5081045

IUPACN-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc(F)cc2Cl)c(=O)c2ccccc21
InChIInChI=1S/C18H15ClFN3O3/c1-2-22-15-6-4-3-5-12(15)17(25)23(18(22)26)10-16(24)21-14-8-7-11(20)9-13(14)19/h3-9H,2,10H2,1H3,(H,21,24)
InChIKeyVBXVWRKFZWTWBO-UHFFFAOYSA-N
MW375.79 g/mol
LogP2.61
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide

N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide (PubChem CID 5081045) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
PubChem CID5081045
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc(F)cc2Cl)c(=O)c2ccccc21
InChIInChI=1S/C18H15ClFN3O3/c1-2-22-15-6-4-3-5-12(15)17(25)23(18(22)26)10-16(24)21-14-8-7-11(20)9-13(14)19/h3-9H,2,10H2,1H3,(H,21,24)
InChIKeyVBXVWRKFZWTWBO-UHFFFAOYSA-N
XLogP2.61
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide (CID 5081045) is N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide is CCn1c(=O)n(CC(=O)Nc2ccc(F)cc2Cl)c(=O)c2ccccc21.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide?
The InChIKey is VBXVWRKFZWTWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c1-2-22-15-6-4-3-5-12(15)17(25)23(18(22)26)10-16(24)21-14-8-7-11(20)9-13(14)19/h3-9H,2,10H2,1H3,(H,21,24).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide has a molecular weight of 375.79 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 5081045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).