6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide

C14H20BrClN2O2 — CID 43704625

IUPAC6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)CCCCCN
InChIInChI=1S/C14H20BrClN2O2/c1-2-20-14-11(15)8-10(16)9-12(14)18-13(19)6-4-3-5-7-17/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyHGOKWALSPFLLFE-UHFFFAOYSA-N
MW363.68 g/mol
LogP3.96
Rot. Bonds8

About 6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide

6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide (PubChem CID 43704625) has the molecular formula C14H20BrClN2O2 and a molecular weight of 363.68 g/mol. Its IUPAC name is 6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide
PubChem CID43704625
Molecular FormulaC14H20BrClN2O2
Molecular Weight363.68 g/mol
Exact Mass362.04
IUPAC Name6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)CCCCCN
InChIInChI=1S/C14H20BrClN2O2/c1-2-20-14-11(15)8-10(16)9-12(14)18-13(19)6-4-3-5-7-17/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyHGOKWALSPFLLFE-UHFFFAOYSA-N
XLogP3.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide
CID 60843123
methyl N-[4-(3-bromo-5-chloro-2-ethoxyanilino)-4-oxobutyl]-N-methylcarbamate
CID 86891822
6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
CID 81263613
N-(3-bromo-5-chloro-2-ethoxyphenyl)but-2-enamide
CID 112725225
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 26159691
5-amino-N-(2,6-dibromo-4-chlorophenyl)pentanamide
CID 114209129
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 26159622
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 26159493
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide
CID 60710210
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 24615139

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide?
The IUPAC name of 6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide (CID 43704625) is 6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide?
The canonical SMILES for 6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide is CCOc1c(Br)cc(Cl)cc1NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide?
The InChIKey is HGOKWALSPFLLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O2/c1-2-20-14-11(15)8-10(16)9-12(14)18-13(19)6-4-3-5-7-17/h8-9H,2-7,17H2,1H3,(H,18,19).
What are the key properties of 6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide?
6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide has a molecular weight of 363.68 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide is sourced from PubChem (CID 43704625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).