N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide

C9H11Cl2N3 — CID 61361467

IUPACN-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide
SMILESCC/N=C(\NN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2N3/c1-2-13-9(14-12)7-4-3-6(10)5-8(7)11/h3-5H,2,12H2,1H3,(H,13,14)
InChIKeyHTGOBRCOAWCUNA-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.22
Rot. Bonds2

About N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide

N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide (PubChem CID 61361467) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide
PubChem CID61361467
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC NameN-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide
SMILESCC/N=C(\NN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2N3/c1-2-13-9(14-12)7-4-3-6(10)5-8(7)11/h3-5H,2,12H2,1H3,(H,13,14)
InChIKeyHTGOBRCOAWCUNA-UHFFFAOYSA-N
XLogP2.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.22
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'}

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Related Compounds

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2,4-dichloro-N-(ethylideneamino)benzamide
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2,4-dichloro-N-pentan-3-ylbenzamide
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CID 111024875

Frequently Asked Questions

What is the IUPAC name of N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide?
The IUPAC name of N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide (CID 61361467) is N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide.
What is the SMILES notation for N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide?
The canonical SMILES for N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide is CC/N=C(\NN)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide?
The InChIKey is HTGOBRCOAWCUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c1-2-13-9(14-12)7-4-3-6(10)5-8(7)11/h3-5H,2,12H2,1H3,(H,13,14).
What are the key properties of N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide?
N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide has a molecular weight of 232.11 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,4-dichloro-N'-ethylbenzenecarboximidamide is sourced from PubChem (CID 61361467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).