N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C21H24FN3O3 — CID 60598900

IUPACN-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESCN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C21H24FN3O3/c1-23(2)10-11-24(15-16-4-3-5-18(22)14-16)20(26)17-6-8-19(9-7-17)25-12-13-28-21(25)27/h3-9,14H,10-13,15H2,1-2H3
InChIKeyVCVZJTDEANJAKA-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.99
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 60598900) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID60598900
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESCN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C21H24FN3O3/c1-23(2)10-11-24(15-16-4-3-5-18(22)14-16)20(26)17-6-8-19(9-7-17)25-12-13-28-21(25)27/h3-9,14H,10-13,15H2,1-2H3
InChIKeyVCVZJTDEANJAKA-UHFFFAOYSA-N
XLogP2.99
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 60598900) is N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide is CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(N2CCOC2=O)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is VCVZJTDEANJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-23(2)10-11-24(15-16-4-3-5-18(22)14-16)20(26)17-6-8-19(9-7-17)25-12-13-28-21(25)27/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 385.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 60598900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).