N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide

C18H18BrNO3 — CID 60522384

IUPACN-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(OCCOc2cccc(Br)c2)cc1)C1CC1
InChIInChI=1S/C18H18BrNO3/c19-14-2-1-3-17(12-14)23-11-10-22-16-8-6-15(7-9-16)20-18(21)13-4-5-13/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,21)
InChIKeyLGKPUMSRZJPQAP-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.26
Rot. Bonds7

About N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide

N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 60522384) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID60522384
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC NameN-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(OCCOc2cccc(Br)c2)cc1)C1CC1
InChIInChI=1S/C18H18BrNO3/c19-14-2-1-3-17(12-14)23-11-10-22-16-8-6-15(7-9-16)20-18(21)13-4-5-13/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,21)
InChIKeyLGKPUMSRZJPQAP-UHFFFAOYSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[4-(2-phenylethoxy)phenyl]cyclopropanecarboxamide
CID 15943236
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 55724790
N-[3-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55880159
N-[4-(2-aminoethoxy)phenyl]cyclobutanecarboxamide
CID 43369279
4-[2-(3-bromophenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 60809216
4-[2-(3-bromophenoxy)ethoxy]benzamide
CID 26217003
3-(3-bromophenoxy)-N-(4-cyanophenyl)propanamide
CID 26687164
3-(cyclopropanecarbonylamino)-N-(3-phenoxypropyl)benzamide
CID 33047741
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide (CID 60522384) is N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(OCCOc2cccc(Br)c2)cc1)C1CC1.
What is the InChIKey of N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is LGKPUMSRZJPQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c19-14-2-1-3-17(12-14)23-11-10-22-16-8-6-15(7-9-16)20-18(21)13-4-5-13/h1-3,6-9,12-13H,4-5,10-11H2,(H,20,21).
What are the key properties of N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide?
N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 376.25 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-bromophenoxy)ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 60522384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).