N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide

C14H13BrCl2N2O — CID 170426962

IUPACN-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide
SMILESCC(=O)NC1CCCn2c1cc1c(Br)cc(Cl)c(Cl)c12
InChIInChI=1S/C14H13BrCl2N2O/c1-7(20)18-11-3-2-4-19-12(11)5-8-9(15)6-10(16)13(17)14(8)19/h5-6,11H,2-4H2,1H3,(H,18,20)
InChIKeyOTXRAUCIJDQOSZ-UHFFFAOYSA-N
MW376.08 g/mol
LogP4.68
Rot. Bonds1

About N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide

N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide (PubChem CID 170426962) has the molecular formula C14H13BrCl2N2O and a molecular weight of 376.08 g/mol. Its IUPAC name is N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide.

Molecular Properties

Compound NameN-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide
PubChem CID170426962
Molecular FormulaC14H13BrCl2N2O
Molecular Weight376.08 g/mol
Exact Mass373.96
IUPAC NameN-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide
SMILESCC(=O)NC1CCCn2c1cc1c(Br)cc(Cl)c(Cl)c12
InChIInChI=1S/C14H13BrCl2N2O/c1-7(20)18-11-3-2-4-19-12(11)5-8-9(15)6-10(16)13(17)14(8)19/h5-6,11H,2-4H2,1H3,(H,18,20)
InChIKeyOTXRAUCIJDQOSZ-UHFFFAOYSA-N
XLogP4.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.08
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-9-bromo-6,7-dichloro-1-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 163227259
1-[(1R)-9-bromo-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-methoxyethanone
CID 163227329
2-amino-1-(9-bromo-6,7-dichloro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
CID 169147827
9-Bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole
CID 169197084
9-bromo-6,7-dichloro-1-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 169197165
1-(9-Bromo-6,7-dichloro-1-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methoxyethanone
CID 169747712
9-Bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 170101906
tert-butyl N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]carbamate
CID 170426500
(3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine
CID 170426528
N-(3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide
CID 170426672
9-Bromo-6,7-dichloro-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 170426738
9-Bromo-6,7-dichloro-2-ethyl-3,4-dihydropyrazino[1,2-a]indol-1-one
CID 170426771

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide?
The IUPAC name of N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide (CID 170426962) is N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide.
What is the SMILES notation for N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide?
The canonical SMILES for N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide is CC(=O)NC1CCCn2c1cc1c(Br)cc(Cl)c(Cl)c12.
What is the InChIKey of N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide?
The InChIKey is OTXRAUCIJDQOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2O/c1-7(20)18-11-3-2-4-19-12(11)5-8-9(15)6-10(16)13(17)14(8)19/h5-6,11H,2-4H2,1H3,(H,18,20).
What are the key properties of N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide?
N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide has a molecular weight of 376.08 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide is sourced from PubChem (CID 170426962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).