2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

C16H16ClFN2O — CID 61115408

IUPAC2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)Cc1ccccc1N
InChIInChI=1S/C16H16ClFN2O/c1-20(10-12-13(17)6-4-7-14(12)18)16(21)9-11-5-2-3-8-15(11)19/h2-8H,9-10,19H2,1H3
InChIKeyWSLGQEWGWBZZBJ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.26
Rot. Bonds4

About 2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide

2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 61115408) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
PubChem CID61115408
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)Cc1ccccc1N
InChIInChI=1S/C16H16ClFN2O/c1-20(10-12-13(17)6-4-7-14(12)18)16(21)9-11-5-2-3-8-15(11)19/h2-8H,9-10,19H2,1H3
InChIKeyWSLGQEWGWBZZBJ-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 2450064
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 112776875
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 61117260
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide (CID 61115408) is 2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1c(F)cccc1Cl)C(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is WSLGQEWGWBZZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-20(10-12-13(17)6-4-7-14(12)18)16(21)9-11-5-2-3-8-15(11)19/h2-8H,9-10,19H2,1H3.
What are the key properties of 2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide?
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 306.77 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 61115408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).