2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide

C14H19BrClNO4 — CID 115902118

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(CCO)C(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C14H19BrClNO4/c1-10(14(19)17(5-7-18)6-8-20-2)21-13-4-3-11(16)9-12(13)15/h3-4,9-10,18H,5-8H2,1-2H3
InChIKeyQHRWKDDAFBUPJY-UHFFFAOYSA-N
MW380.67 g/mol
LogP2.34
Rot. Bonds8

About 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide (PubChem CID 115902118) has the molecular formula C14H19BrClNO4 and a molecular weight of 380.67 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
PubChem CID115902118
Molecular FormulaC14H19BrClNO4
Molecular Weight380.67 g/mol
Exact Mass379.02
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(CCO)C(=O)C(C)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C14H19BrClNO4/c1-10(14(19)17(5-7-18)6-8-20-2)21-13-4-3-11(16)9-12(13)15/h3-4,9-10,18H,5-8H2,1-2H3
InChIKeyQHRWKDDAFBUPJY-UHFFFAOYSA-N
XLogP2.34
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N,N-diethylacetamide
CID 885680
4-[(2-Bromo-4-chlorophenoxy)acetyl]-1-piperazinecarbaldehyde
CID 1048021
2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide
CID 2230655
1-{2-[2-(2-Bromo-4-chlorophenoxy)ethoxy]ethyl}piperidine oxalate
CID 2923968
2-{[3-(2-Bromo-4-chlorophenoxy)propyl]amino}ethanol ethanedioate (salt)
CID 2924434
[3-(2-Bromo-4-chlorophenoxy)propyl]dimethylamine oxalate
CID 2935903
{2-[2-(2-Bromo-4-chlorophenoxy)ethoxy]ethyl}dimethylamine oxalate
CID 2936073
Methyl 1-[(2-bromo-4-chlorophenoxy)acetyl]-2-pyrrolidinecarboxylate
CID 4253789
2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide
CID 2563098
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3987952
2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 1226773
ethyl N-[(2-bromo-4-chlorophenoxy)acetyl]glycinate
CID 2224813

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide (CID 115902118) is 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide is COCCN(CCO)C(=O)C(C)Oc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is QHRWKDDAFBUPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO4/c1-10(14(19)17(5-7-18)6-8-20-2)21-13-4-3-11(16)9-12(13)15/h3-4,9-10,18H,5-8H2,1-2H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 380.67 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115902118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).