N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide

C10H9ClFN3O3 — CID 24879085

IUPACN-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide
SMILESNC(=O)NC(=O)c1cc(NC(=O)CCl)ccc1F
InChIInChI=1S/C10H9ClFN3O3/c11-4-8(16)14-5-1-2-7(12)6(3-5)9(17)15-10(13)18/h1-3H,4H2,(H,14,16)(H3,13,15,17,18)
InChIKeyPPOJFNLMYHWHMH-UHFFFAOYSA-N
MW273.65 g/mol
LogP0.81
Rot. Bonds3

About N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide

N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide (PubChem CID 24879085) has the molecular formula C10H9ClFN3O3 and a molecular weight of 273.65 g/mol. Its IUPAC name is N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide
PubChem CID24879085
Molecular FormulaC10H9ClFN3O3
Molecular Weight273.65 g/mol
Exact Mass273.03
IUPAC NameN-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide
SMILESNC(=O)NC(=O)c1cc(NC(=O)CCl)ccc1F
InChIInChI=1S/C10H9ClFN3O3/c11-4-8(16)14-5-1-2-7(12)6(3-5)9(17)15-10(13)18/h1-3H,4H2,(H,14,16)(H3,13,15,17,18)
InChIKeyPPOJFNLMYHWHMH-UHFFFAOYSA-N
XLogP0.81
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.65
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide 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 N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide?
The IUPAC name of N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide (CID 24879085) is N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide.
What is the SMILES notation for N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide?
The canonical SMILES for N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide is NC(=O)NC(=O)c1cc(NC(=O)CCl)ccc1F.
What is the InChIKey of N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide?
The InChIKey is PPOJFNLMYHWHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O3/c11-4-8(16)14-5-1-2-7(12)6(3-5)9(17)15-10(13)18/h1-3H,4H2,(H,14,16)(H3,13,15,17,18).
What are the key properties of N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide?
N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide has a molecular weight of 273.65 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-5-[(2-chloroacetyl)amino]-2-fluorobenzamide is sourced from PubChem (CID 24879085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).