N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide

C9H11BrClN3 — CID 81307491

IUPACN-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide
SMILESCC/N=C(\NN)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClN3/c1-2-13-9(14-12)6-3-4-7(10)8(11)5-6/h3-5H,2,12H2,1H3,(H,13,14)
InChIKeyOBUKAZIOARAVND-UHFFFAOYSA-N
MW276.57 g/mol
LogP2.33
Rot. Bonds2

About N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide

N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide (PubChem CID 81307491) has the molecular formula C9H11BrClN3 and a molecular weight of 276.57 g/mol. Its IUPAC name is N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide
PubChem CID81307491
Molecular FormulaC9H11BrClN3
Molecular Weight276.57 g/mol
Exact Mass274.98
IUPAC NameN-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide
SMILESCC/N=C(\NN)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClN3/c1-2-13-9(14-12)6-3-4-7(10)8(11)5-6/h3-5H,2,12H2,1H3,(H,13,14)
InChIKeyOBUKAZIOARAVND-UHFFFAOYSA-N
XLogP2.33
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.57
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide 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-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide
CID 81307492
N-amino-3-bromo-N'-ethyl-4-methoxybenzenecarboximidamide
CID 61361476
N-amino-4-bromo-3-chloro-N'-phenylbenzenecarboximidamide
CID 81308007
N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide
CID 81307820
N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide
CID 61361467
N-amino-2-bromo-N'-ethylthiophene-3-carboximidamide
CID 164662343
2-(4-bromo-3-chlorophenyl)-N,N'-diethylethanimidamide;hydrobromide
CID 21430129
1-(4-bromo-3-chlorophenyl)-3-methylidenepentan-1-one
CID 115781266
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-4-bromo-3-chlorobenzamide
CID 81307814
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
4-amino-N'-ethyl-N-hydroxybenzenecarboximidamide
CID 123383430
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420

Frequently Asked Questions

What is the IUPAC name of N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide?
The IUPAC name of N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide (CID 81307491) is N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide.
What is the SMILES notation for N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide?
The canonical SMILES for N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide is CC/N=C(\NN)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide?
The InChIKey is OBUKAZIOARAVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3/c1-2-13-9(14-12)6-3-4-7(10)8(11)5-6/h3-5H,2,12H2,1H3,(H,13,14).
What are the key properties of N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide?
N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide has a molecular weight of 276.57 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-bromo-3-chloro-N'-ethylbenzenecarboximidamide is sourced from PubChem (CID 81307491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).