N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide

C14H15Cl2N3O — CID 158022512

IUPACN-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide
SMILESCC(=O)Nn1c2c(c3c(Cl)ccc(Cl)c31)CCNCC2
InChIInChI=1S/C14H15Cl2N3O/c1-8(20)18-19-12-5-7-17-6-4-9(12)13-10(15)2-3-11(16)14(13)19/h2-3,17H,4-7H2,1H3,(H,18,20)
InChIKeyFGFMGKHJINGLLA-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.73
Rot. Bonds1

About N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide

N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide (PubChem CID 158022512) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide.

Molecular Properties

Compound NameN-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide
PubChem CID158022512
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide
SMILESCC(=O)Nn1c2c(c3c(Cl)ccc(Cl)c31)CCNCC2
InChIInChI=1S/C14H15Cl2N3O/c1-8(20)18-19-12-5-7-17-6-4-9(12)13-10(15)2-3-11(16)14(13)19/h2-3,17H,4-7H2,1H3,(H,18,20)
InChIKeyFGFMGKHJINGLLA-UHFFFAOYSA-N
XLogP2.73
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide?
The IUPAC name of N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide (CID 158022512) is N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide.
What is the SMILES notation for N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide?
The canonical SMILES for N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide is CC(=O)Nn1c2c(c3c(Cl)ccc(Cl)c31)CCNCC2.
What is the InChIKey of N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide?
The InChIKey is FGFMGKHJINGLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-8(20)18-19-12-5-7-17-6-4-9(12)13-10(15)2-3-11(16)14(13)19/h2-3,17H,4-7H2,1H3,(H,18,20).
What are the key properties of N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide?
N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide has a molecular weight of 312.20 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,10-dichloro-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide is sourced from PubChem (CID 158022512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).