N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide

C19H16F3N3O2 — CID 126792336

IUPACN-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)N(CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C19H16F3N3O2/c20-13-5-7-14(8-6-13)25(11-17(21)22)18(26)9-10-24-12-23-16-4-2-1-3-15(16)19(24)27/h1-8,12,17H,9-11H2
InChIKeyJZPUUPOCLTVAMF-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.22
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide

N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 126792336) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID126792336
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC NameN-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)N(CC(F)F)c1ccc(F)cc1
InChIInChI=1S/C19H16F3N3O2/c20-13-5-7-14(8-6-13)25(11-17(21)22)18(26)9-10-24-12-23-16-4-2-1-3-15(16)19(24)27/h1-8,12,17H,9-11H2
InChIKeyJZPUUPOCLTVAMF-UHFFFAOYSA-N
XLogP3.22
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 126792336) is N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)N(CC(F)F)c1ccc(F)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is JZPUUPOCLTVAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-13-5-7-14(8-6-13)25(11-17(21)22)18(26)9-10-24-12-23-16-4-2-1-3-15(16)19(24)27/h1-8,12,17H,9-11H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 375.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(4-fluorophenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 126792336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).