2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide

C17H20FN3O — CID 108997892

IUPAC2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCN(C)c1ccc(NCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN3O/c1-21(2)16-9-7-15(8-10-16)19-12-17(22)20-11-13-3-5-14(18)6-4-13/h3-10,19H,11-12H2,1-2H3,(H,20,22)
InChIKeyBJNHCJMBXYJWBH-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.62
Rot. Bonds6

About 2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide

2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 108997892) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID108997892
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCN(C)c1ccc(NCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN3O/c1-21(2)16-9-7-15(8-10-16)19-12-17(22)20-11-13-3-5-14(18)6-4-13/h3-10,19H,11-12H2,1-2H3,(H,20,22)
InChIKeyBJNHCJMBXYJWBH-UHFFFAOYSA-N
XLogP2.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 108999838
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
N-(cyanomethyl)-2-[4-(dimethylamino)anilino]acetamide
CID 43617058
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995317
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 9289828
2-[4-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 43408515
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
2-[4-(azepan-1-ylsulfonyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31054392
2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60537701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide (CID 108997892) is 2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide is CN(C)c1ccc(NCC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is BJNHCJMBXYJWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-21(2)16-9-7-15(8-10-16)19-12-17(22)20-11-13-3-5-14(18)6-4-13/h3-10,19H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 301.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 108997892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).