2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide

C12H17FN2O2 — CID 43380838

IUPAC2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide
SMILESCOc1ccc(NCC(=O)NC(C)C)cc1F
InChIInChI=1S/C12H17FN2O2/c1-8(2)15-12(16)7-14-9-4-5-11(17-3)10(13)6-9/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyZBHVXXHHKGLOMZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.77
Rot. Bonds5

About 2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide

2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide (PubChem CID 43380838) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide
PubChem CID43380838
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide
SMILESCOc1ccc(NCC(=O)NC(C)C)cc1F
InChIInChI=1S/C12H17FN2O2/c1-8(2)15-12(16)7-14-9-4-5-11(17-3)10(13)6-9/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyZBHVXXHHKGLOMZ-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide 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

3-(3-fluoro-4-methoxyanilino)-2-methylpropanoic acid
CID 43538671
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
CID 47064115
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide
CID 43380729
(E)-4-(3-fluoro-4-methoxyanilino)-3-methylbut-2-enoic acid
CID 103237877
2-[4-fluoro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
CID 61229010
2-(3-fluoro-4-methoxyphenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196743
methyl 4-(3-fluoro-4-methoxyanilino)butanoate
CID 43380727
4-(3-fluoro-4-methoxyanilino)-3-methyl-4-oxobutanoic acid
CID 115164433
N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide
CID 61488261
N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196660
N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide
CID 114839602

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide (CID 43380838) is 2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide is COc1ccc(NCC(=O)NC(C)C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide?
The InChIKey is ZBHVXXHHKGLOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(2)15-12(16)7-14-9-4-5-11(17-3)10(13)6-9/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide?
2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide has a molecular weight of 240.28 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 43380838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).