N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide

C14H21F2N3O — CID 63076799

IUPACN-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide
SMILESCCNC(=O)CN(CC)c1c(F)cc(CNC)cc1F
InChIInChI=1S/C14H21F2N3O/c1-4-18-13(20)9-19(5-2)14-11(15)6-10(8-17-3)7-12(14)16/h6-7,17H,4-5,8-9H2,1-3H3,(H,18,20)
InChIKeyLLRPCKFBARAYSP-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.65
Rot. Bonds7

About N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide

N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide (PubChem CID 63076799) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide
PubChem CID63076799
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC NameN-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide
SMILESCCNC(=O)CN(CC)c1c(F)cc(CNC)cc1F
InChIInChI=1S/C14H21F2N3O/c1-4-18-13(20)9-19(5-2)14-11(15)6-10(8-17-3)7-12(14)16/h6-7,17H,4-5,8-9H2,1-3H3,(H,18,20)
InChIKeyLLRPCKFBARAYSP-UHFFFAOYSA-N
XLogP1.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 63076971
2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline
CID 63051923
2-[(5-amino-7-fluoroquinolin-8-yl)-ethylamino]-N-ethylacetamide
CID 83165492
2-[(3,5-difluoro-4-hydroxyphenyl)methyl-methylamino]-N-ethylacetamide
CID 82978666
2-(4-amino-N-ethyl-2-fluoroanilino)-N-ethylacetamide
CID 54986995
4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline
CID 63060506
N-ethyl-2,6-difluoro-4-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 63076269
2-(2-amino-5-ethoxy-N-ethyl-4-fluoroanilino)-N-ethylacetamide
CID 63592696
2-(2-amino-N-ethyl-3-fluoroanilino)-N-ethylacetamide
CID 54986511
2-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)-ethylamino]-N-ethylacetamide
CID 114073067
N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide
CID 54980999
N-(cyanomethyl)-2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 79891256

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide?
The IUPAC name of N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide (CID 63076799) is N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide.
What is the SMILES notation for N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide?
The canonical SMILES for N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide is CCNC(=O)CN(CC)c1c(F)cc(CNC)cc1F.
What is the InChIKey of N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide?
The InChIKey is LLRPCKFBARAYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-4-18-13(20)9-19(5-2)14-11(15)6-10(8-17-3)7-12(14)16/h6-7,17H,4-5,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide?
N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide has a molecular weight of 285.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide is sourced from PubChem (CID 63076799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).