4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide

C15H14BrClN2O2 — CID 102724594

IUPAC4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c16-10-1-3-11(4-2-10)20-7-8-21-12-5-6-13(15(18)19)14(17)9-12/h1-6,9H,7-8H2,(H3,18,19)
InChIKeyLNDPNXXGSGWHBB-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.84
Rot. Bonds6

About 4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide

4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide (PubChem CID 102724594) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
PubChem CID102724594
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c16-10-1-3-11(4-2-10)20-7-8-21-12-5-6-13(15(18)19)14(17)9-12/h1-6,9H,7-8H2,(H3,18,19)
InChIKeyLNDPNXXGSGWHBB-UHFFFAOYSA-N
XLogP3.84
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-hexoxybenzenecarboximidamide
CID 62948385
2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide
CID 106202100
4-[2-(3,4-dichlorophenoxy)ethoxy]benzenecarboximidamide
CID 61301174
2-chloro-4-(2-methylbutoxy)benzenecarboximidamide
CID 102724610
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-chlorobenzenecarboximidamide
CID 102724538
4-[2-(4-bromophenoxy)ethoxy]-2-chloroaniline
CID 62112283
4-[2-(3-chloro-4-fluorophenoxy)ethoxy]benzenecarboximidamide
CID 63880209
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
CID 65203810
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
2-chloro-4-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 102724554
2-chloro-4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]benzenecarboximidamide
CID 102724521

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide?
The IUPAC name of 4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide (CID 102724594) is 4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide?
The canonical SMILES for 4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCOc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide?
The InChIKey is LNDPNXXGSGWHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-10-1-3-11(4-2-10)20-7-8-21-12-5-6-13(15(18)19)14(17)9-12/h1-6,9H,7-8H2,(H3,18,19).
What are the key properties of 4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide?
4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide has a molecular weight of 369.65 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide is sourced from PubChem (CID 102724594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).