2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

C19H21F3N2O — CID 112801097

IUPAC2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CNC(C)c1ccc(F)cc1F
InChIInChI=1S/C19H21F3N2O/c1-3-24(12-14-5-4-6-15(20)9-14)19(25)11-23-13(2)17-8-7-16(21)10-18(17)22/h4-10,13,23H,3,11-12H2,1-2H3
InChIKeyHYXCQLWTHSKJJI-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.80
Rot. Bonds7

About 2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 112801097) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID112801097
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CNC(C)c1ccc(F)cc1F
InChIInChI=1S/C19H21F3N2O/c1-3-24(12-14-5-4-6-15(20)9-14)19(25)11-23-13(2)17-8-7-16(21)10-18(17)22/h4-10,13,23H,3,11-12H2,1-2H3
InChIKeyHYXCQLWTHSKJJI-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-2-[3-(hydroxymethyl)anilino]acetamide
CID 110881844
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-(propan-2-ylamino)acetamide
CID 54872580
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24548300
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 97358724
3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55396470
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8689093
methyl 3-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]benzoate
CID 124572671
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 51314639
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (CID 112801097) is 2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is CCN(Cc1cccc(F)c1)C(=O)CNC(C)c1ccc(F)cc1F.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is HYXCQLWTHSKJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-3-24(12-14-5-4-6-15(20)9-14)19(25)11-23-13(2)17-8-7-16(21)10-18(17)22/h4-10,13,23H,3,11-12H2,1-2H3.
What are the key properties of 2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 350.38 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)ethylamino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 112801097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).