N-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen

C20H20ClN3O2 — CID 159693724

IUPACN-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)c1c2n(c3ccccc13)CCNCC2.[H][H]
InChIInChI=1S/C20H18ClN3O2.H2/c21-13-5-7-14(8-6-13)23-20(26)19(25)18-15-3-1-2-4-16(15)24-12-11-22-10-9-17(18)24;/h1-8,22H,9-12H2,(H,23,26);1H
InChIKeyMWSSNGPYVPLONE-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.51
Rot. Bonds3

About N-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen

N-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen (PubChem CID 159693724) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen
PubChem CID159693724
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)c1c2n(c3ccccc13)CCNCC2.[H][H]
InChIInChI=1S/C20H18ClN3O2.H2/c21-13-5-7-14(8-6-13)23-20(26)19(25)18-15-3-1-2-4-16(15)24-12-11-22-10-9-17(18)24;/h1-8,22H,9-12H2,(H,23,26);1H
InChIKeyMWSSNGPYVPLONE-UHFFFAOYSA-N
XLogP3.51
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.51
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-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen?
The IUPAC name of N-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen (CID 159693724) is N-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen.
What is the SMILES notation for N-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen?
The canonical SMILES for N-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen is O=C(Nc1ccc(Cl)cc1)C(=O)c1c2n(c3ccccc13)CCNCC2.[H][H].
What is the InChIKey of N-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen?
The InChIKey is MWSSNGPYVPLONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2.H2/c21-13-5-7-14(8-6-13)23-20(26)19(25)18-15-3-1-2-4-16(15)24-12-11-22-10-9-17(18)24;/h1-8,22H,9-12H2,(H,23,26);1H.
What are the key properties of N-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen?
N-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen has a molecular weight of 369.85 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-oxo-2-(2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indol-11-yl)acetamide;molecular hydrogen is sourced from PubChem (CID 159693724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).