2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide

C12H14F2N2O — CID 166301389

IUPAC2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide
SMILESCC/C=C/CNC(=O)c1c(N)cc(F)cc1F
InChIInChI=1S/C12H14F2N2O/c1-2-3-4-5-16-12(17)11-9(14)6-8(13)7-10(11)15/h3-4,6-7H,2,5,15H2,1H3,(H,16,17)/b4-3+
InChIKeyMMEMYWCJDJTFAW-ONEGZZNKSA-N
MW240.25 g/mol
LogP2.24
Rot. Bonds4

About 2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide

2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide (PubChem CID 166301389) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide.

Molecular Properties

Compound Name2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide
PubChem CID166301389
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide
SMILESCC/C=C/CNC(=O)c1c(N)cc(F)cc1F
InChIInChI=1S/C12H14F2N2O/c1-2-3-4-5-16-12(17)11-9(14)6-8(13)7-10(11)15/h3-4,6-7H,2,5,15H2,1H3,(H,16,17)/b4-3+
InChIKeyMMEMYWCJDJTFAW-ONEGZZNKSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide 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-amino-4,6-difluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 70098730
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
2-amino-4,6-difluoro-N,N-dimethylbenzamide
CID 70098620
2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
2-amino-4-ethyl-6-fluorobenzoic acid
CID 146075343
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
CID 106139555
N-(2-amino-4,6-difluorophenyl)heptanamide
CID 114752030
ethyl 4-[(2,4,6-trifluorobenzoyl)amino]butanoate
CID 65100634
N-(2-amino-4,6-difluorophenyl)octanamide
CID 81314143
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
CID 103843286
2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460515
N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
CID 119497329

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide?
The IUPAC name of 2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide (CID 166301389) is 2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide.
What is the SMILES notation for 2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide?
The canonical SMILES for 2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide is CC/C=C/CNC(=O)c1c(N)cc(F)cc1F.
What is the InChIKey of 2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide?
The InChIKey is MMEMYWCJDJTFAW-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-2-3-4-5-16-12(17)11-9(14)6-8(13)7-10(11)15/h3-4,6-7H,2,5,15H2,1H3,(H,16,17)/b4-3+.
What are the key properties of 2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide?
2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide has a molecular weight of 240.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-difluoro-N-[(E)-pent-2-enyl]benzamide is sourced from PubChem (CID 166301389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).