N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide

C12H17FN2O2 — CID 43380729

IUPACN-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ccc(OC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-4-15(2)12(16)8-14-9-5-6-11(17-3)10(13)7-9/h5-7,14H,4,8H2,1-3H3
InChIKeyDTXGOFRNGZWGFB-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.72
Rot. Bonds5

About N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide

N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide (PubChem CID 43380729) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide
PubChem CID43380729
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ccc(OC)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-4-15(2)12(16)8-14-9-5-6-11(17-3)10(13)7-9/h5-7,14H,4,8H2,1-3H3
InChIKeyDTXGOFRNGZWGFB-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide
CID 61488261
2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide
CID 43309603
N-ethyl-2-(4-fluoroanilino)-N-methylacetamide
CID 43309636
2-(3-fluoro-4-methoxyanilino)-N-propan-2-ylacetamide
CID 43380838
(E)-4-(3-fluoro-4-methoxyanilino)-3-methylbut-2-enoic acid
CID 103237877
N-ethyl-N-methyl-2-(4-methylsulfanylanilino)acetamide
CID 43309578
methyl 4-(3-fluoro-4-methoxyanilino)butanoate
CID 43380727
3-(3-fluoro-4-methoxyanilino)-2-methylpropanoic acid
CID 43538671
N-ethyl-2-(4-ethylanilino)-N-methylacetamide
CID 43309649
2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide
CID 43617050
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide
CID 104925827

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide?
The IUPAC name of N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide (CID 43380729) is N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide?
The canonical SMILES for N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide is CCN(C)C(=O)CNc1ccc(OC)c(F)c1.
What is the InChIKey of N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide?
The InChIKey is DTXGOFRNGZWGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-4-15(2)12(16)8-14-9-5-6-11(17-3)10(13)7-9/h5-7,14H,4,8H2,1-3H3.
What are the key properties of N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide?
N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide has a molecular weight of 240.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluoro-4-methoxyanilino)-N-methylacetamide is sourced from PubChem (CID 43380729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).