2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(dimethylamino)propyl)-5-(o-fluorophenyl)-, dihydrochloride

HCID 20091

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 4130-72-7
Standard SMILES: CN(C)CCCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21.Cl.Cl
InChIKey: JZHPERDCMWAKPD-UHFFFAOYSA-N
Molecular formula: C20H23Cl3FN3O
Average molar mass: 446.8 g/mol
Monoisotopic mass: 445.089074

Names & identifiers

Preferred name: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(dimethylamino)propyl)-5-(o-fluorophenyl)-, dihydrochloride
IUPAC: 7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one;dihydrochloride

Names & synonyms

4130-72-72H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(3-(dimethylamino)propyl)-5-(o-fluorophenyl)-, dihydrochlorideDTXSID90194285RefChem:267878DTXCID001167769A3PS96FQN7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one dihydrochloride2H-1,4-BENZODIAZEPIN-2-ONE, 7-CHLORO-1-(3-(DIMETHYLAMINO)PROPYL)-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-, DIHYDROCHLORIDE2H-1,4-BENZODIAZEPIN-2-ONE, 7-CHLORO-1-(3-(DIMETHYLAMINO)PROPYL)-5-(O-FLUOROPHENYL)-1,3-DIHYDRO-, DIHYDROCHLORIDE2H-1,4-Benzodiazepin-2-one, 7-chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-1,3-dihydro-, hydrochloride (1:2)7-Chloro-1-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one--hydrogen chloride (1/2)

Database identifiers

CAS: 4130-72-7
PubChem CID: 20091
DTXSID: DTXSID90194285
UNII: 9A3PS96FQN

Properties

Computed structural properties

Topological polar surface area: 35.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 527

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…