N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide

C24H18N4O2 — CID 118141615

IUPACN-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide
SMILESO=C1CN=C(c2cccc(NC(=O)c3ccccc3)c2)c2[nH]c3ccccc3c2N1
InChIInChI=1S/C24H18N4O2/c29-20-14-25-21(23-22(28-20)18-11-4-5-12-19(18)27-23)16-9-6-10-17(13-16)26-24(30)15-7-2-1-3-8-15/h1-13,27H,14H2,(H,26,30)(H,28,29)
InChIKeyUQZADYKXVUWXGU-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.21
Rot. Bonds3

About N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide

N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide (PubChem CID 118141615) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide
PubChem CID118141615
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC NameN-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide
SMILESO=C1CN=C(c2cccc(NC(=O)c3ccccc3)c2)c2[nH]c3ccccc3c2N1
InChIInChI=1S/C24H18N4O2/c29-20-14-25-21(23-22(28-20)18-11-4-5-12-19(18)27-23)16-9-6-10-17(13-16)26-24(30)15-7-2-1-3-8-15/h1-13,27H,14H2,(H,26,30)(H,28,29)
InChIKeyUQZADYKXVUWXGU-UHFFFAOYSA-N
XLogP4.21
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide?
The IUPAC name of N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide (CID 118141615) is N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide?
The canonical SMILES for N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide is O=C1CN=C(c2cccc(NC(=O)c3ccccc3)c2)c2[nH]c3ccccc3c2N1.
What is the InChIKey of N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide?
The InChIKey is UQZADYKXVUWXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-20-14-25-21(23-22(28-20)18-11-4-5-12-19(18)27-23)16-9-6-10-17(13-16)26-24(30)15-7-2-1-3-8-15/h1-13,27H,14H2,(H,26,30)(H,28,29).
What are the key properties of N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide?
N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide has a molecular weight of 394.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-3,6-dihydro-1H-[1,4]diazepino[6,5-b]indol-5-yl)phenyl]benzamide is sourced from PubChem (CID 118141615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).