4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione

C19H20FN3O2 — CID 122558831

IUPAC4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN(C)CCN1CC(=O)Nc2ccc(-c3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C19H20FN3O2/c1-22(2)9-10-23-12-18(24)21-17-8-5-14(11-16(17)19(23)25)13-3-6-15(20)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyZWISQUDPSQLHPS-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.45
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione

4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 122558831) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID122558831
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCN(C)CCN1CC(=O)Nc2ccc(-c3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C19H20FN3O2/c1-22(2)9-10-23-12-18(24)21-17-8-5-14(11-16(17)19(23)25)13-3-6-15(20)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyZWISQUDPSQLHPS-UHFFFAOYSA-N
XLogP2.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)ethyl]-7,8-difluoro-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 122558557
4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 122560222
6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006336
4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006568
4-ethyl-6-fluoro-1,3-dihydroquinoxalin-2-one
CID 79296211
6-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
CID 79296050
7-iodo-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 10245205
1-[3-(dimethylamino)propyl]-3-oxo-2,4-dihydroquinoxaline-6-carbonitrile
CID 117007172
9-(4-chloro-2-fluorophenyl)-3-[1-[2-(dimethylamino)ethyl]pyrrolidine-2-carbonyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione
CID 77303698
1-[2-(dimethylamino)ethyl]-4-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylpiperazin-2-one
CID 126574642
N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide
CID 138556030
ethane;methanethiol;4-[2-(methylamino)ethyl]-7-[(3E)-penta-1,3-dien-3-yl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione;propane
CID 169133600

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione (CID 122558831) is 4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione is CN(C)CCN1CC(=O)Nc2ccc(-c3ccc(F)cc3)cc2C1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is ZWISQUDPSQLHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-22(2)9-10-23-12-18(24)21-17-8-5-14(11-16(17)19(23)25)13-3-6-15(20)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of 4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione?
4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 341.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 122558831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).