6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine

C15H10Cl2F2N2 — CID 175560653

IUPAC6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine
SMILESFc1cccc(C2=NCCNc3ccc(Cl)c(Cl)c32)c1F
InChIInChI=1S/C15H10Cl2F2N2/c16-9-4-5-11-12(13(9)17)15(21-7-6-20-11)8-2-1-3-10(18)14(8)19/h1-5,20H,6-7H2
InChIKeyWHABDMXIKGQMBA-UHFFFAOYSA-N
MW327.16 g/mol
LogP4.53
Rot. Bonds1

About 6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine

6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine (PubChem CID 175560653) has the molecular formula C15H10Cl2F2N2 and a molecular weight of 327.16 g/mol. Its IUPAC name is 6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine
PubChem CID175560653
Molecular FormulaC15H10Cl2F2N2
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine
SMILESFc1cccc(C2=NCCNc3ccc(Cl)c(Cl)c32)c1F
InChIInChI=1S/C15H10Cl2F2N2/c16-9-4-5-11-12(13(9)17)15(21-7-6-20-11)8-2-1-3-10(18)14(8)19/h1-5,20H,6-7H2
InChIKeyWHABDMXIKGQMBA-UHFFFAOYSA-N
XLogP4.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-6-chloro-5-(2,6-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine
CID 172737199
6,7-dichloro-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-carbaldehyde
CID 175405978
2-(2,3-dichlorophenyl)-4,5-dihydro-1H-imidazole
CID 110540705
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene
CID 141040222
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
7-chloro-5-(2-fluoro-5-methoxyphenyl)-2,3-dihydro-1H-1,4-benzodiazepine
CID 175578723
2-[1-(2-chloro-6-(18F)fluorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 46851237
N-[2-(2,6-difluorophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 15175561
6-chloro-5-(2-fluorophenyl)-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 162346313
2-chloro-4-(2,3-difluorophenyl)-3-fluoropyridine
CID 119022782
2-chloro-4-(2,3-difluorophenyl)pyrimidine
CID 24901991

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine?
The IUPAC name of 6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine (CID 175560653) is 6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine.
What is the SMILES notation for 6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine?
The canonical SMILES for 6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine is Fc1cccc(C2=NCCNc3ccc(Cl)c(Cl)c32)c1F.
What is the InChIKey of 6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine?
The InChIKey is WHABDMXIKGQMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2N2/c16-9-4-5-11-12(13(9)17)15(21-7-6-20-11)8-2-1-3-10(18)14(8)19/h1-5,20H,6-7H2.
What are the key properties of 6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine?
6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine has a molecular weight of 327.16 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-(2,3-difluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 175560653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).