2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide

C12H18ClN2O2P — CID 141058944

IUPAC2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide
SMILESCCP(=O)(CC)Cc1ccc(C(N)=O)c(N)c1Cl
InChIInChI=1S/C12H18ClN2O2P/c1-3-18(17,4-2)7-8-5-6-9(12(15)16)11(14)10(8)13/h5-6H,3-4,7,14H2,1-2H3,(H2,15,16)
InChIKeyNHLMMEQEFVBOOS-UHFFFAOYSA-N
MW288.71 g/mol
LogP2.92
Rot. Bonds5

About 2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide

2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide (PubChem CID 141058944) has the molecular formula C12H18ClN2O2P and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide
PubChem CID141058944
Molecular FormulaC12H18ClN2O2P
Molecular Weight288.71 g/mol
Exact Mass288.08
IUPAC Name2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide
SMILESCCP(=O)(CC)Cc1ccc(C(N)=O)c(N)c1Cl
InChIInChI=1S/C12H18ClN2O2P/c1-3-18(17,4-2)7-8-5-6-9(12(15)16)11(14)10(8)13/h5-6H,3-4,7,14H2,1-2H3,(H2,15,16)
InChIKeyNHLMMEQEFVBOOS-UHFFFAOYSA-N
XLogP2.92
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide (CID 141058944) is 2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide is CCP(=O)(CC)Cc1ccc(C(N)=O)c(N)c1Cl.
What is the InChIKey of 2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide?
The InChIKey is NHLMMEQEFVBOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN2O2P/c1-3-18(17,4-2)7-8-5-6-9(12(15)16)11(14)10(8)13/h5-6H,3-4,7,14H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide?
2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide has a molecular weight of 288.71 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-4-(diethylphosphorylmethyl)benzamide is sourced from PubChem (CID 141058944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).