N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide

C9H10ClFN2O2 — CID 22732316

IUPACN-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(N)c(Cl)cc1F
InChIInChI=1S/C9H10ClFN2O2/c1-15-4-9(14)13-8-3-7(12)5(10)2-6(8)11/h2-3H,4,12H2,1H3,(H,13,14)
InChIKeyNRXOYQQZBRTUKO-UHFFFAOYSA-N
MW232.64 g/mol
LogP1.65
Rot. Bonds3

About N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide

N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide (PubChem CID 22732316) has the molecular formula C9H10ClFN2O2 and a molecular weight of 232.64 g/mol. Its IUPAC name is N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide
PubChem CID22732316
Molecular FormulaC9H10ClFN2O2
Molecular Weight232.64 g/mol
Exact Mass232.04
IUPAC NameN-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(N)c(Cl)cc1F
InChIInChI=1S/C9H10ClFN2O2/c1-15-4-9(14)13-8-3-7(12)5(10)2-6(8)11/h2-3H,4,12H2,1H3,(H,13,14)
InChIKeyNRXOYQQZBRTUKO-UHFFFAOYSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide 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-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246
N-[4-(aminomethyl)-2-fluorophenyl]-2-methoxyacetamide;hydrochloride
CID 11651718
[2-(2-fluoroanilino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2570793
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
4,5-difluoro-2-[(2-methoxyacetyl)amino]benzoic acid
CID 62865537
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575
N-(4-amino-5-chloro-2-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 104667598
N-(5-amino-2,4-difluorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 62056351
methyl 2-[5-(butanoylamino)-2-chloro-4-fluorophenyl]sulfanyl-3-methylbutanoate
CID 139689805
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809812

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide?
The IUPAC name of N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide (CID 22732316) is N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide?
The canonical SMILES for N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide is COCC(=O)Nc1cc(N)c(Cl)cc1F.
What is the InChIKey of N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide?
The InChIKey is NRXOYQQZBRTUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O2/c1-15-4-9(14)13-8-3-7(12)5(10)2-6(8)11/h2-3H,4,12H2,1H3,(H,13,14).
What are the key properties of N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide?
N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide has a molecular weight of 232.64 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-chloro-2-fluorophenyl)-2-methoxyacetamide is sourced from PubChem (CID 22732316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).