2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide

C15H18F2N2O2 — CID 79883466

IUPAC2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1c(F)cc(CNC2CC2)cc1F
InChIInChI=1S/C15H18F2N2O2/c1-2-5-18-14(20)9-21-15-12(16)6-10(7-13(15)17)8-19-11-3-4-11/h2,6-7,11,19H,1,3-5,8-9H2,(H,18,20)
InChIKeySEPBLIPGGQZCAR-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.90
Rot. Bonds8

About 2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide

2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide (PubChem CID 79883466) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide
PubChem CID79883466
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1c(F)cc(CNC2CC2)cc1F
InChIInChI=1S/C15H18F2N2O2/c1-2-5-18-14(20)9-21-15-12(16)6-10(7-13(15)17)8-19-11-3-4-11/h2,6-7,11,19H,1,3-5,8-9H2,(H,18,20)
InChIKeySEPBLIPGGQZCAR-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide 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-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
CID 79883438
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 60882265
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882213
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 79887948
2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]-N-propylacetamide
CID 43276832
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide
CID 79158298
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 107686453
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
2-[4-(aminomethyl)-2-fluorophenoxy]-N-prop-2-enylacetamide
CID 107686235
N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658
N-(cyanomethyl)-2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 79891256
N-tert-butyl-2-[4-[(cyclopropylamino)methyl]-2-fluorophenoxy]acetamide
CID 107687996

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide (CID 79883466) is 2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1c(F)cc(CNC2CC2)cc1F.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide?
The InChIKey is SEPBLIPGGQZCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-2-5-18-14(20)9-21-15-12(16)6-10(7-13(15)17)8-19-11-3-4-11/h2,6-7,11,19H,1,3-5,8-9H2,(H,18,20).
What are the key properties of 2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide?
2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide has a molecular weight of 296.32 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 79883466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).