2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide

C15H22ClN3O — CID 174605165

IUPAC2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide
SMILES[H]/N=C(\CC(C)N(CC)CC)c1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C15H22ClN3O/c1-4-19(5-2)10(3)8-14(17)11-6-7-13(16)12(9-11)15(18)20/h6-7,9-10,17H,4-5,8H2,1-3H3,(H2,18,20)/b17-14+
InChIKeyFWDRGLWDZLAFNA-SAPNQHFASA-N
MW295.81 g/mol
LogP2.93
Rot. Bonds7

About 2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide

2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide (PubChem CID 174605165) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide
PubChem CID174605165
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide
SMILES[H]/N=C(\CC(C)N(CC)CC)c1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C15H22ClN3O/c1-4-19(5-2)10(3)8-14(17)11-6-7-13(16)12(9-11)15(18)20/h6-7,9-10,17H,4-5,8H2,1-3H3,(H2,18,20)/b17-14+
InChIKeyFWDRGLWDZLAFNA-SAPNQHFASA-N
XLogP2.93
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide?
The IUPAC name of 2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide (CID 174605165) is 2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide.
What is the SMILES notation for 2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide?
The canonical SMILES for 2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide is [H]/N=C(\CC(C)N(CC)CC)c1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide?
The InChIKey is FWDRGLWDZLAFNA-SAPNQHFASA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-4-19(5-2)10(3)8-14(17)11-6-7-13(16)12(9-11)15(18)20/h6-7,9-10,17H,4-5,8H2,1-3H3,(H2,18,20)/b17-14+.
What are the key properties of 2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide?
2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide has a molecular weight of 295.81 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-(diethylamino)butanimidoyl]benzamide is sourced from PubChem (CID 174605165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).