N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide

C13H14F2N2O — CID 79271793

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C13H14F2N2O/c1-2-4-16-9-13(18)17-5-3-10-6-11(14)8-12(15)7-10/h1,6-8,16H,3-5,9H2,(H,17,18)
InChIKeyRBQPCIGGCAYVFW-UHFFFAOYSA-N
MW252.26 g/mol
LogP0.85
Rot. Bonds6

About N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide

N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 79271793) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
PubChem CID79271793
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C13H14F2N2O/c1-2-4-16-9-13(18)17-5-3-10-6-11(14)8-12(15)7-10/h1,6-8,16H,3-5,9H2,(H,17,18)
InChIKeyRBQPCIGGCAYVFW-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)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

N-[2-(4-chlorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 71627764
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 78908694
N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide
CID 62295850
N-(2-acetamidoethyl)-2-(prop-2-ynylamino)acetamide
CID 112722327
N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide
CID 79287786
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide
CID 81079820
methyl 2-[2-(3,5-difluorophenyl)ethylamino]-2-oxoacetate
CID 112617153
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420
2-(1,4-diazepan-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62832012
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 112722692
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide (CID 79271793) is N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is RBQPCIGGCAYVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-2-4-16-9-13(18)17-5-3-10-6-11(14)8-12(15)7-10/h1,6-8,16H,3-5,9H2,(H,17,18).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide?
N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 252.26 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79271793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).