N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide

C10H12BrClN2 — CID 164661312

IUPACN'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide
SMILESCC/C(N)=N\c1cc(Cl)c(Br)cc1C
InChIInChI=1S/C10H12BrClN2/c1-3-10(13)14-9-5-8(12)7(11)4-6(9)2/h4-5H,3H2,1-2H3,(H2,13,14)
InChIKeyXODMICYLOFGPGT-UHFFFAOYSA-N
MW275.58 g/mol
LogP3.81
Rot. Bonds2

About N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide

N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide (PubChem CID 164661312) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide.

Molecular Properties

Compound NameN'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide
PubChem CID164661312
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC NameN'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide
SMILESCC/C(N)=N\c1cc(Cl)c(Br)cc1C
InChIInChI=1S/C10H12BrClN2/c1-3-10(13)14-9-5-8(12)7(11)4-6(9)2/h4-5H,3H2,1-2H3,(H2,13,14)
InChIKeyXODMICYLOFGPGT-UHFFFAOYSA-N
XLogP3.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide
CID 63174253
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149
1-bromo-2-chloro-4-isothiocyanato-5-methylbenzene
CID 7183296
2-(2-bromo-5-chloro-4-methylphenyl)-1-hydroxyguanidine
CID 104725233
N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
CID 169366991
N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide
CID 169365471
2-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803605
1,5-dibromo-2-chloro-4-methylbenzene
CID 18927059
3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide
CID 104724441
5-bromo-4-chloro-2-methylbenzaldehyde
CID 84796500
N'-(2-bromo-4-chloro-6-methylphenyl)-2-chloroethanimidamide
CID 169365373
ethyl 5-bromo-4-chloro-2-hydroxybenzoate
CID 19701624

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide?
The IUPAC name of N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide (CID 164661312) is N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide.
What is the SMILES notation for N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide?
The canonical SMILES for N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide is CC/C(N)=N\c1cc(Cl)c(Br)cc1C.
What is the InChIKey of N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide?
The InChIKey is XODMICYLOFGPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2/c1-3-10(13)14-9-5-8(12)7(11)4-6(9)2/h4-5H,3H2,1-2H3,(H2,13,14).
What are the key properties of N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide?
N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide has a molecular weight of 275.58 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-5-chloro-2-methylphenyl)propanimidamide is sourced from PubChem (CID 164661312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).