N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide

C20H22ClFN2O — CID 55922691

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1ccccc1F
InChIInChI=1S/C20H22ClFN2O/c1-4-9-24(12-16-7-5-6-8-18(16)22)13-19(25)23-20-15(3)10-14(2)11-17(20)21/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,23,25)
InChIKeyBDZMQNHDDIHUMR-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.72
Rot. Bonds7

About N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide (PubChem CID 55922691) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide
PubChem CID55922691
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1ccccc1F
InChIInChI=1S/C20H22ClFN2O/c1-4-9-24(12-16-7-5-6-8-18(16)22)13-19(25)23-20-15(3)10-14(2)11-17(20)21/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,23,25)
InChIKeyBDZMQNHDDIHUMR-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]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-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162238
2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 35165066
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 112998255
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221850
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998293
2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 62687923
N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide
CID 108941280
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
2-(2-chloro-4,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 42125159
N-(2-chloro-4,6-dimethylphenyl)-2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112784445
2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 54818050

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide (CID 55922691) is N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide is C=CCN(CC(=O)Nc1c(C)cc(C)cc1Cl)Cc1ccccc1F.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide?
The InChIKey is BDZMQNHDDIHUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-4-9-24(12-16-7-5-6-8-18(16)22)13-19(25)23-20-15(3)10-14(2)11-17(20)21/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,23,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide has a molecular weight of 360.86 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide is sourced from PubChem (CID 55922691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).