2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide

C18H21FN2O — CID 78815730

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(c1ccccc1)N(C)Cc1cccc(F)c1
InChIInChI=1S/C18H21FN2O/c1-20(2)18(22)17(15-9-5-4-6-10-15)21(3)13-14-8-7-11-16(19)12-14/h4-12,17H,13H2,1-3H3
InChIKeyWVRUPHFPIJQZKT-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.09
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide

2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide (PubChem CID 78815730) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide
PubChem CID78815730
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(c1ccccc1)N(C)Cc1cccc(F)c1
InChIInChI=1S/C18H21FN2O/c1-20(2)18(22)17(15-9-5-4-6-10-15)21(3)13-14-8-7-11-16(19)12-14/h4-12,17H,13H2,1-3H3
InChIKeyWVRUPHFPIJQZKT-UHFFFAOYSA-N
XLogP3.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
CID 8516208
2-(3-fluorophenyl)-2-[methyl-[(4-phenylphenyl)methyl]amino]acetamide
CID 86886828
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
CID 110009403
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 118246886
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid
CID 113373573
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide (CID 78815730) is 2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)C(c1ccccc1)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is WVRUPHFPIJQZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-20(2)18(22)17(15-9-5-4-6-10-15)21(3)13-14-8-7-11-16(19)12-14/h4-12,17H,13H2,1-3H3.
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide?
2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 300.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 78815730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).