N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide

C20H17Cl2N3O2 — CID 10111691

IUPACN-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C(=O)c1c2n(c3ccccc13)CCNCC2
InChIInChI=1S/C20H17Cl2N3O2/c21-13-5-3-6-14(22)18(13)24-20(27)19(26)17-12-4-1-2-7-15(12)25-11-10-23-9-8-16(17)25/h1-7,23H,8-11H2,(H,24,27)
InChIKeySUUMARDNEQURDZ-UHFFFAOYSA-N
MW402.28 g/mol
LogP3.92
Rot. Bonds3

About N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide

N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide (PubChem CID 10111691) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide
PubChem CID10111691
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC NameN-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C(=O)c1c2n(c3ccccc13)CCNCC2
InChIInChI=1S/C20H17Cl2N3O2/c21-13-5-3-6-14(22)18(13)24-20(27)19(26)17-12-4-1-2-7-15(12)25-11-10-23-9-8-16(17)25/h1-7,23H,8-11H2,(H,24,27)
InChIKeySUUMARDNEQURDZ-UHFFFAOYSA-N
XLogP3.92
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide (CID 10111691) is N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide is O=C(Nc1c(Cl)cccc1Cl)C(=O)c1c2n(c3ccccc13)CCNCC2.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide?
The InChIKey is SUUMARDNEQURDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c21-13-5-3-6-14(22)18(13)24-20(27)19(26)17-12-4-1-2-7-15(12)25-11-10-23-9-8-16(17)25/h1-7,23H,8-11H2,(H,24,27).
What are the key properties of N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide?
N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide has a molecular weight of 402.28 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide is sourced from PubChem (CID 10111691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).