N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide

C13H18BrClN2O2 — CID 60843123

IUPACN-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)CCCNC
InChIInChI=1S/C13H18BrClN2O2/c1-3-19-13-10(14)7-9(15)8-11(13)17-12(18)5-4-6-16-2/h7-8,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyXGZQLIAXFKRYTO-UHFFFAOYSA-N
MW349.66 g/mol
LogP3.44
Rot. Bonds7

About N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide

N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide (PubChem CID 60843123) has the molecular formula C13H18BrClN2O2 and a molecular weight of 349.66 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide
PubChem CID60843123
Molecular FormulaC13H18BrClN2O2
Molecular Weight349.66 g/mol
Exact Mass348.02
IUPAC NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)CCCNC
InChIInChI=1S/C13H18BrClN2O2/c1-3-19-13-10(14)7-9(15)8-11(13)17-12(18)5-4-6-16-2/h7-8,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyXGZQLIAXFKRYTO-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 53.44
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

6-amino-N-(3-bromo-5-chloro-2-ethoxyphenyl)hexanamide
CID 43704625
methyl N-[4-(3-bromo-5-chloro-2-ethoxyanilino)-4-oxobutyl]-N-methylcarbamate
CID 86891822
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 26159691
N-(3-bromo-5-chloro-2-ethoxyphenyl)but-2-enamide
CID 112725225
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 26159622
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 26159493
N-(3-bromo-5-chloro-2-ethoxyphenyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30840828
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
4-bromo-N-(3-bromo-5-chloro-2-ethoxyphenyl)-1H-pyrrole-2-carboxamide
CID 60710210
N-(3-bromo-5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide
CID 43704379
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide
CID 60710404

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide (CID 60843123) is N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide is CCOc1c(Br)cc(Cl)cc1NC(=O)CCCNC.
What is the InChIKey of N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide?
The InChIKey is XGZQLIAXFKRYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O2/c1-3-19-13-10(14)7-9(15)8-11(13)17-12(18)5-4-6-16-2/h7-8,16H,3-6H2,1-2H3,(H,17,18).
What are the key properties of N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide?
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide has a molecular weight of 349.66 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 60843123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).