2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide

C14H11BrCl2N2O — CID 107658488

IUPAC2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2N2O/c1-7-2-3-8(14(18)19)12(4-7)20-13-6-10(16)9(15)5-11(13)17/h2-6H,1H3,(H3,18,19)
InChIKeyNACMMWYACHXYAE-UHFFFAOYSA-N
MW374.07 g/mol
LogP5.14
Rot. Bonds3

About 2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide

2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide (PubChem CID 107658488) has the molecular formula C14H11BrCl2N2O and a molecular weight of 374.07 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide
PubChem CID107658488
Molecular FormulaC14H11BrCl2N2O
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2N2O/c1-7-2-3-8(14(18)19)12(4-7)20-13-6-10(16)9(15)5-11(13)17/h2-6H,1H3,(H3,18,19)
InChIKeyNACMMWYACHXYAE-UHFFFAOYSA-N
XLogP5.14
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.07
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarbothioamide
CID 107658141
2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 55057065
2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide
CID 107658452
4-chloro-2-(2-fluoro-5-methylphenoxy)benzenecarboximidamide
CID 64855794
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
4-bromo-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 114904752
4-chloro-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 63093366
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
2-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzenecarboximidamide
CID 64601574
2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 81332379
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
4-methoxy-2-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 81299836

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide (CID 107658488) is 2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1Oc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide?
The InChIKey is NACMMWYACHXYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O/c1-7-2-3-8(14(18)19)12(4-7)20-13-6-10(16)9(15)5-11(13)17/h2-6H,1H3,(H3,18,19).
What are the key properties of 2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide?
2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide has a molecular weight of 374.07 g/mol, XLogP of 5.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dichlorophenoxy)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107658488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).