2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide

C14H20F2N2O — CID 60503075

IUPAC2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(C)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O/c1-4-7-17-14(19)9-18(3)10(2)12-8-11(15)5-6-13(12)16/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,19)
InChIKeyMQYWXWKEFXIFML-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.48
Rot. Bonds6

About 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide

2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide (PubChem CID 60503075) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide
PubChem CID60503075
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(C)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O/c1-4-7-17-14(19)9-18(3)10(2)12-8-11(15)5-6-13(12)16/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,19)
InChIKeyMQYWXWKEFXIFML-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[(1R)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetate
CID 94417360
2-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propylacetamide
CID 78940287
N-(3-chloro-4-fluorophenyl)-2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetamide
CID 60514650
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]-methylamino]-N-propylacetamide
CID 62037415
2-[1-(2-fluorophenyl)ethyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 55140277
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87017985
(2S)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9356943
(2R)-N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 9356945
2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 46620951
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 55838586
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302840
N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
CID 47023383

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide (CID 60503075) is 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)C(C)c1cc(F)ccc1F.
What is the InChIKey of 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide?
The InChIKey is MQYWXWKEFXIFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-7-17-14(19)9-18(3)10(2)12-8-11(15)5-6-13(12)16/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,19).
What are the key properties of 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide?
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide has a molecular weight of 270.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 60503075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).