5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one

C17H12FN3O — CID 118155746

IUPAC5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
SMILESO=C1CN=C(c2ccccc2F)c2[nH]c3ccccc3c2N1
InChIInChI=1S/C17H12FN3O/c18-12-7-3-1-5-10(12)15-17-16(21-14(22)9-19-15)11-6-2-4-8-13(11)20-17/h1-8,20H,9H2,(H,21,22)
InChIKeySJTBNODEFOARFL-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.10
Rot. Bonds1

About 5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one

5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one (PubChem CID 118155746) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
PubChem CID118155746
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
SMILESO=C1CN=C(c2ccccc2F)c2[nH]c3ccccc3c2N1
InChIInChI=1S/C17H12FN3O/c18-12-7-3-1-5-10(12)15-17-16(21-14(22)9-19-15)11-6-2-4-8-13(11)20-17/h1-8,20H,9H2,(H,21,22)
InChIKeySJTBNODEFOARFL-UHFFFAOYSA-N
XLogP3.10
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluorophenyl)-9-methyl-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 118155764
9-chloro-5-(2-fluorophenyl)-2-methylidene-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indole
CID 144862106
9-chloro-5-(2-fluoro-3-methoxyphenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one;ethane
CID 144862133
9-fluoro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 138736880
5-[3-(2H-tetrazol-5-yl)phenyl]-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 136927862
5-[3-(1-methoxyethenyl)phenyl]-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 144862097
N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide
CID 118141615
5-(2-fluorophenyl)-7-methyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 67474800
5-[(2Z)-2-ethenylpenta-2,4-dienyl]-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one
CID 144862136
3,4,5,7-tetrahydro-1H-[1,5]diazocino[3,2-b]indole-2,6-dione
CID 170859462
7-cyclopropyl-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 170330084
6-chloro-5-(2-fluorophenyl)-7-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 162346313

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one?
The IUPAC name of 5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one (CID 118155746) is 5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one.
What is the SMILES notation for 5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one?
The canonical SMILES for 5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one is O=C1CN=C(c2ccccc2F)c2[nH]c3ccccc3c2N1.
What is the InChIKey of 5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one?
The InChIKey is SJTBNODEFOARFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-12-7-3-1-5-10(12)15-17-16(21-14(22)9-19-15)11-6-2-4-8-13(11)20-17/h1-8,20H,9H2,(H,21,22).
What are the key properties of 5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one?
5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one has a molecular weight of 293.30 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-2-one is sourced from PubChem (CID 118155746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).