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

C15H23F2N3O — CID 63076971

IUPAC2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1c(F)cc(CNC)cc1F
InChIInChI=1S/C15H23F2N3O/c1-5-20(9-14(21)19-10(2)3)15-12(16)6-11(8-18-4)7-13(15)17/h6-7,10,18H,5,8-9H2,1-4H3,(H,19,21)
InChIKeyWVJGRIBCIWXECG-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.04
Rot. Bonds7

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

2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide (PubChem CID 63076971) has the molecular formula C15H23F2N3O and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
PubChem CID63076971
Molecular FormulaC15H23F2N3O
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1c(F)cc(CNC)cc1F
InChIInChI=1S/C15H23F2N3O/c1-5-20(9-14(21)19-10(2)3)15-12(16)6-11(8-18-4)7-13(15)17/h6-7,10,18H,5,8-9H2,1-4H3,(H,19,21)
InChIKeyWVJGRIBCIWXECG-UHFFFAOYSA-N
XLogP2.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.04
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

N-ethyl-2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]acetamide
CID 63076799
2-[2,6-difluoro-4-(hydroxymethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 63077398
2-(4,6-diamino-3-chloro-N-ethyl-2-fluoroanilino)-N-propan-2-ylacetamide
CID 103552879
2,6-difluoro-4-(methylaminomethyl)-N,N-dipropylaniline
CID 63051923
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749
2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 54985902
2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
CID 115367320
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
N-(cyclobutylmethyl)-N-ethyl-2,6-difluoro-4-[(propan-2-ylamino)methyl]aniline
CID 107399963
2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol
CID 63075915
2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986482
2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80630228

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide (CID 63076971) is 2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1c(F)cc(CNC)cc1F.
What is the InChIKey of 2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide?
The InChIKey is WVJGRIBCIWXECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O/c1-5-20(9-14(21)19-10(2)3)15-12(16)6-11(8-18-4)7-13(15)17/h6-7,10,18H,5,8-9H2,1-4H3,(H,19,21).
What are the key properties of 2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide?
2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide has a molecular weight of 299.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-2,6-difluoro-4-(methylaminomethyl)anilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 63076971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).