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

C12H15F2N3O2 — CID 52685012

IUPACN-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(N)=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H15F2N3O2/c1-2-17(7-11(18)16-12(15)19)6-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3,(H3,15,16,18,19)
InChIKeyMANZYHSJNUOGCK-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.98
Rot. Bonds5

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

N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide (PubChem CID 52685012) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide
PubChem CID52685012
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC NameN-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(N)=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H15F2N3O2/c1-2-17(7-11(18)16-12(15)19)6-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3,(H3,15,16,18,19)
InChIKeyMANZYHSJNUOGCK-UHFFFAOYSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(propylcarbamoyl)acetamide
CID 52685023
2-[(2,6-difluorophenyl)methyl-ethylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 52685018
2-[(4-aminophenyl)methyl-ethylamino]-N-carbamoylacetamide
CID 43383866
N'-[(2,6-difluorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2059067
2-[(3-bromo-2,6-difluorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 106268754
2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
CID 107366810
N-(2,6-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718062
N-carbamoyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962463
2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide
CID 60729755
N-(2,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685460
3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide
CID 34910056
2-[(4-aminophenyl)methyl-propylamino]-N-carbamoylacetamide
CID 43459558

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide?
The IUPAC name of N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide (CID 52685012) is N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide?
The canonical SMILES for N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide is CCN(CC(=O)NC(N)=O)Cc1c(F)cccc1F.
What is the InChIKey of N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide?
The InChIKey is MANZYHSJNUOGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c1-2-17(7-11(18)16-12(15)19)6-8-9(13)4-3-5-10(8)14/h3-5H,2,6-7H2,1H3,(H3,15,16,18,19).
What are the key properties of N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide?
N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide has a molecular weight of 271.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2,6-difluorophenyl)methyl-ethylamino]acetamide is sourced from PubChem (CID 52685012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).