(4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

C18H14F2N2 — CID 92735120

IUPAC(4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
SMILESFc1cc(F)cc([C@H]2NCc3ccccc3-n3cccc32)c1
InChIInChI=1S/C18H14F2N2/c19-14-8-13(9-15(20)10-14)18-17-6-3-7-22(17)16-5-2-1-4-12(16)11-21-18/h1-10,18,21H,11H2/t18-/m1/s1
InChIKeyUQBFKIFGZDNYGW-GOSISDBHSA-N
MW296.32 g/mol
LogP3.95
Rot. Bonds1

About (4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

(4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine (PubChem CID 92735120) has the molecular formula C18H14F2N2 and a molecular weight of 296.32 g/mol. Its IUPAC name is (4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine.

Molecular Properties

Compound Name(4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
PubChem CID92735120
Molecular FormulaC18H14F2N2
Molecular Weight296.32 g/mol
Exact Mass296.11
IUPAC Name(4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
SMILESFc1cc(F)cc([C@H]2NCc3ccccc3-n3cccc32)c1
InChIInChI=1S/C18H14F2N2/c19-14-8-13(9-15(20)10-14)18-17-6-3-7-22(17)16-5-2-1-4-12(16)11-21-18/h1-10,18,21H,11H2/t18-/m1/s1
InChIKeyUQBFKIFGZDNYGW-GOSISDBHSA-N
XLogP3.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
CID 4646399
4-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
CID 4084710
4-[(4S)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl]benzoic acid
CID 687920
(4S)-4-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
CID 92716447
1-[4-(7,9-difluoro-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)phenyl]ethanone
CID 67818755
4-(3,5-difluorophenyl)-N-propan-2-yl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 46337118
(4R)-4-[(2S)-2-phenylpropyl]-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
CID 1263780
(4R)-4-(3,5-difluorophenyl)-N-(3,5-dimethylphenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92723996
(4R)-N-(2-chlorophenyl)-4-(3,5-difluorophenyl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92723982
4-(3,5-difluorophenyl)-N-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 20939961
(4S)-4-(3,5-difluorophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92724023
(4R)-4-(4-chlorophenyl)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
CID 1263304

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine?
The IUPAC name of (4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine (CID 92735120) is (4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine.
What is the SMILES notation for (4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine?
The canonical SMILES for (4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine is Fc1cc(F)cc([C@H]2NCc3ccccc3-n3cccc32)c1.
What is the InChIKey of (4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine?
The InChIKey is UQBFKIFGZDNYGW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H14F2N2/c19-14-8-13(9-15(20)10-14)18-17-6-3-7-22(17)16-5-2-1-4-12(16)11-21-18/h1-10,18,21H,11H2/t18-/m1/s1.
What are the key properties of (4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine?
(4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine has a molecular weight of 296.32 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,5-difluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine is sourced from PubChem (CID 92735120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).