2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide

C15H21F2N3O2 — CID 52685023

IUPAC2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(CC)Cc1c(F)cccc1F
InChIInChI=1S/C15H21F2N3O2/c1-3-8-18-15(22)19-14(21)10-20(4-2)9-11-12(16)6-5-7-13(11)17/h5-7H,3-4,8-10H2,1-2H3,(H2,18,19,21,22)
InChIKeyKYPWIVZWLAVIMH-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.02
Rot. Bonds7

About 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide

2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide (PubChem CID 52685023) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide
PubChem CID52685023
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Name2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN(CC)Cc1c(F)cccc1F
InChIInChI=1S/C15H21F2N3O2/c1-3-8-18-15(22)19-14(21)10-20(4-2)9-11-12(16)6-5-7-13(11)17/h5-7H,3-4,8-10H2,1-2H3,(H2,18,19,21,22)
InChIKeyKYPWIVZWLAVIMH-UHFFFAOYSA-N
XLogP2.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 52685018
N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide
CID 52685012
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27083840
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 40710223
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(propylcarbamoyl)acetamide
CID 78962583
2-[bis(2-hydroxyethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60686309
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-(propylcarbamoyl)acetamide
CID 78792829
N'-[(2,6-difluorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2059067
N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 51200030
2-[(3-bromo-2,6-difluorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 106268754

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide (CID 52685023) is 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN(CC)Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide?
The InChIKey is KYPWIVZWLAVIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c1-3-8-18-15(22)19-14(21)10-20(4-2)9-11-12(16)6-5-7-13(11)17/h5-7H,3-4,8-10H2,1-2H3,(H2,18,19,21,22).
What are the key properties of 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide?
2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide has a molecular weight of 313.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 52685023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).