N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

C25H21F2N3O2 — CID 42722955

IUPACN-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCN(C(=O)c1cccc(F)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1F
InChIInChI=1S/C25H21F2N3O2/c1-3-29(24(31)17-9-8-10-18(26)15-17)16(2)23-28-21-13-6-4-11-19(21)25(32)30(23)22-14-7-5-12-20(22)27/h4-16H,3H2,1-2H3
InChIKeyOKKMFQMFMRLFII-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.89
Rot. Bonds5

About N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide

N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (PubChem CID 42722955) has the molecular formula C25H21F2N3O2 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
PubChem CID42722955
Molecular FormulaC25H21F2N3O2
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC NameN-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
SMILESCCN(C(=O)c1cccc(F)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1F
InChIInChI=1S/C25H21F2N3O2/c1-3-29(24(31)17-9-8-10-18(26)15-17)16(2)23-28-21-13-6-4-11-19(21)25(32)30(23)22-14-7-5-12-20(22)27/h4-16H,3H2,1-2H3
InChIKeyOKKMFQMFMRLFII-UHFFFAOYSA-N
XLogP4.89
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715400
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-3-fluorobenzamide
CID 42722451
3-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)benzamide
CID 4312215
N-ethyl-3-methoxy-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718230
N-ethyl-2-fluoro-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718224
N-ethyl-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methylbenzamide
CID 42722015
N-ethyl-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-2-carboxamide
CID 42720907
N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-fluoro-N-(3-methylbutyl)benzamide
CID 3380806
N-ethyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42723568
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 42723314
4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718225
3-bromo-N-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbenzamide
CID 3618263

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The IUPAC name of N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide (CID 42722955) is N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The canonical SMILES for N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is CCN(C(=O)c1cccc(F)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1F.
What is the InChIKey of N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
The InChIKey is OKKMFQMFMRLFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O2/c1-3-29(24(31)17-9-8-10-18(26)15-17)16(2)23-28-21-13-6-4-11-19(21)25(32)30(23)22-14-7-5-12-20(22)27/h4-16H,3H2,1-2H3.
What are the key properties of N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide?
N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide has a molecular weight of 433.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide is sourced from PubChem (CID 42722955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).