N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide

C20H25FN2O — CID 78811483

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)CCc1ccccc1F
InChIInChI=1S/C20H25FN2O/c1-22(2)14-15-23(16-17-8-4-3-5-9-17)20(24)13-12-18-10-6-7-11-19(18)21/h3-11H,12-16H2,1-2H3
InChIKeyXGPHLGRMDVEQEE-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.35
Rot. Bonds8

About N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide

N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide (PubChem CID 78811483) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide
PubChem CID78811483
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)CCc1ccccc1F
InChIInChI=1S/C20H25FN2O/c1-22(2)14-15-23(16-17-8-4-3-5-9-17)20(24)13-12-18-10-6-7-11-19(18)21/h3-11H,12-16H2,1-2H3
InChIKeyXGPHLGRMDVEQEE-UHFFFAOYSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109022875
N-benzyl-2-(2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 60654052
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
3-(2-fluorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 110724799
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55981030
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 78838061
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]butanamide
CID 55980382

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide (CID 78811483) is N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide is CN(C)CCN(Cc1ccccc1)C(=O)CCc1ccccc1F.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is XGPHLGRMDVEQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-22(2)14-15-23(16-17-8-4-3-5-9-17)20(24)13-12-18-10-6-7-11-19(18)21/h3-11H,12-16H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 328.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 78811483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).