N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide

C11H13BrCl2N2O — CID 107790244

IUPACN-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H13BrCl2N2O/c1-2-15-6-5-9(17)16-8-4-3-7(12)10(13)11(8)14/h3-4,15H,2,5-6H2,1H3,(H,16,17)
InChIKeyRMIAEHCJYCTCBA-UHFFFAOYSA-N
MW340.05 g/mol
LogP3.69
Rot. Bonds5

About N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide

N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide (PubChem CID 107790244) has the molecular formula C11H13BrCl2N2O and a molecular weight of 340.05 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide
PubChem CID107790244
Molecular FormulaC11H13BrCl2N2O
Molecular Weight340.05 g/mol
Exact Mass337.96
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H13BrCl2N2O/c1-2-15-6-5-9(17)16-8-4-3-7(12)10(13)11(8)14/h3-4,15H,2,5-6H2,1H3,(H,16,17)
InChIKeyRMIAEHCJYCTCBA-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.05
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)acetamide
CID 107790226
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
CID 81291962
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
4-(4-bromo-2,3-dichloroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 113428627
N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114001853
5-(4-bromo-2,3-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 114001552
N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide
CID 103414030
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-methylpropanamide
CID 107788653
N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
CID 55121574
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide (CID 107790244) is N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide is CCNCCC(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide?
The InChIKey is RMIAEHCJYCTCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O/c1-2-15-6-5-9(17)16-8-4-3-7(12)10(13)11(8)14/h3-4,15H,2,5-6H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide?
N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide has a molecular weight of 340.05 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide is sourced from PubChem (CID 107790244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).