4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide

C18H18Br2N2O3 — CID 60549507

IUPAC4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCCOc1cccc(Br)c1
InChIInChI=1S/C18H18Br2N2O3/c19-14-6-4-13(5-7-14)18(24)22-9-8-17(23)21-10-11-25-16-3-1-2-15(20)12-16/h1-7,12H,8-11H2,(H,21,23)(H,22,24)
InChIKeyKJRXYSHPCZXBQT-UHFFFAOYSA-N
MW470.16 g/mol
LogP3.53
Rot. Bonds8

About 4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide

4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide (PubChem CID 60549507) has the molecular formula C18H18Br2N2O3 and a molecular weight of 470.16 g/mol. Its IUPAC name is 4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide
PubChem CID60549507
Molecular FormulaC18H18Br2N2O3
Molecular Weight470.16 g/mol
Exact Mass467.97
IUPAC Name4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCCOc1cccc(Br)c1
InChIInChI=1S/C18H18Br2N2O3/c19-14-6-4-13(5-7-14)18(24)22-9-8-17(23)21-10-11-25-16-3-1-2-15(20)12-16/h1-7,12H,8-11H2,(H,21,23)(H,22,24)
InChIKeyKJRXYSHPCZXBQT-UHFFFAOYSA-N
XLogP3.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.16
LogP ≤ 53.53
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-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
N-[2-(3-bromophenoxy)ethyl]-4-(methylsulfamoyl)benzamide
CID 55976141
N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55919465
2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate
CID 2407342
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997
4-bromo-N-[3-[[3-(cyanomethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 86946585
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
N-[2-[4-(3-acetylphenoxy)butanoylamino]ethyl]-3-bromobenzamide
CID 60615622
4-bromo-N-[2-(3-bromophenoxy)ethyl]-3-nitrobenzamide
CID 52712998
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide (CID 60549507) is 4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NCCOc1cccc(Br)c1.
What is the InChIKey of 4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide?
The InChIKey is KJRXYSHPCZXBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O3/c19-14-6-4-13(5-7-14)18(24)22-9-8-17(23)21-10-11-25-16-3-1-2-15(20)12-16/h1-7,12H,8-11H2,(H,21,23)(H,22,24).
What are the key properties of 4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide has a molecular weight of 470.16 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 60549507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).