N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide

C9H9BrCl2N2 — CID 169366991

IUPACN'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
SMILESCc1cc(Br)cc(/N=C(/N)CCl)c1Cl
InChIInChI=1S/C9H9BrCl2N2/c1-5-2-6(10)3-7(9(5)12)14-8(13)4-11/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyDHOBQWQBMPYYRD-UHFFFAOYSA-N
MW296.00 g/mol
LogP3.64
Rot. Bonds2

About N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide

N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide (PubChem CID 169366991) has the molecular formula C9H9BrCl2N2 and a molecular weight of 296.00 g/mol. Its IUPAC name is N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
PubChem CID169366991
Molecular FormulaC9H9BrCl2N2
Molecular Weight296.00 g/mol
Exact Mass293.93
IUPAC NameN'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
SMILESCc1cc(Br)cc(/N=C(/N)CCl)c1Cl
InChIInChI=1S/C9H9BrCl2N2/c1-5-2-6(10)3-7(9(5)12)14-8(13)4-11/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyDHOBQWQBMPYYRD-UHFFFAOYSA-N
XLogP3.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.00
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
2-(5-bromo-2-chloro-3-methylphenyl)-1-(diaminomethylidene)guanidine
CID 168603304
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149
N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide
CID 169365135
N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide
CID 169365907
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
N'-(2-bromo-4-chloro-6-methylphenyl)-2-chloroethanimidamide
CID 169365373
N'-(3-bromo-2,4,6-trimethylphenyl)-2-chloroethanimidamide
CID 169365515
2-chloro-N'-(2,6-dibromo-4-chloro-3-methylphenyl)ethanimidamide
CID 169365391
2-chloro-N'-(2,4,6-trimethylphenyl)ethanimidamide
CID 169364909
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide (CID 169366991) is N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide is Cc1cc(Br)cc(/N=C(/N)CCl)c1Cl.
What is the InChIKey of N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide?
The InChIKey is DHOBQWQBMPYYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2N2/c1-5-2-6(10)3-7(9(5)12)14-8(13)4-11/h2-3H,4H2,1H3,(H2,13,14).
What are the key properties of N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide?
N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide has a molecular weight of 296.00 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169366991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).