4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide

C12H16BrClN2O2 — CID 82994336

IUPAC4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide
SMILESCOCCNCCNC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O2/c1-18-7-6-15-4-5-16-12(17)10-3-2-9(13)8-11(10)14/h2-3,8,15H,4-7H2,1H3,(H,16,17)
InChIKeyZPFAMRBQNSEWEH-UHFFFAOYSA-N
MW335.63 g/mol
LogP2.07
Rot. Bonds7

About 4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide

4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide (PubChem CID 82994336) has the molecular formula C12H16BrClN2O2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide
PubChem CID82994336
Molecular FormulaC12H16BrClN2O2
Molecular Weight335.63 g/mol
Exact Mass334.01
IUPAC Name4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide
SMILESCOCCNCCNC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2O2/c1-18-7-6-15-4-5-16-12(17)10-3-2-9(13)8-11(10)14/h2-3,8,15H,4-7H2,1H3,(H,16,17)
InChIKeyZPFAMRBQNSEWEH-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 52.07
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

4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83038903
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
CID 114151560
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide
CID 55849532
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
(2S)-4-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006650
4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 115738491
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 55917738

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide (CID 82994336) is 4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide is COCCNCCNC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide?
The InChIKey is ZPFAMRBQNSEWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O2/c1-18-7-6-15-4-5-16-12(17)10-3-2-9(13)8-11(10)14/h2-3,8,15H,4-7H2,1H3,(H,16,17).
What are the key properties of 4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide?
4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide has a molecular weight of 335.63 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide is sourced from PubChem (CID 82994336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).