2-(2-aminophenyl)-2-chloro-N-methylacetamide

C9H11ClN2O — CID 155233545

IUPAC2-(2-aminophenyl)-2-chloro-N-methylacetamide
SMILESCNC(=O)C(Cl)c1ccccc1N
InChIInChI=1S/C9H11ClN2O/c1-12-9(13)8(10)6-4-2-3-5-7(6)11/h2-5,8H,11H2,1H3,(H,12,13)
InChIKeyWLRJLDLWMFMTOC-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.29
Rot. Bonds2

About 2-(2-aminophenyl)-2-chloro-N-methylacetamide

2-(2-aminophenyl)-2-chloro-N-methylacetamide (PubChem CID 155233545) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(2-aminophenyl)-2-chloro-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-2-chloro-N-methylacetamide
PubChem CID155233545
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-(2-aminophenyl)-2-chloro-N-methylacetamide
SMILESCNC(=O)C(Cl)c1ccccc1N
InChIInChI=1S/C9H11ClN2O/c1-12-9(13)8(10)6-4-2-3-5-7(6)11/h2-5,8H,11H2,1H3,(H,12,13)
InChIKeyWLRJLDLWMFMTOC-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(2,3-difluorophenyl)-N-methylacetamide
CID 63669080
2-chloro-2-(2-fluoro-3-methylphenyl)-N-methylacetamide
CID 130992769
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
4-(2-aminophenyl)-N-methylpentanamide
CID 143020696
2-chloro-N-methyl-2-thiophen-2-ylacetamide
CID 10103980
2-(2-chlorophenyl)-2-hydroxy-N-methylacetamide
CID 23548439
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
CID 166060261
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
2-chloro-2-(2,5-dichlorothiophen-3-yl)-N-methylacetamide
CID 130649464
2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 62224401
2-chloro-N-methyl-2-(3-methylphenyl)acetamide
CID 62224564

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-2-chloro-N-methylacetamide?
The IUPAC name of 2-(2-aminophenyl)-2-chloro-N-methylacetamide (CID 155233545) is 2-(2-aminophenyl)-2-chloro-N-methylacetamide.
What is the SMILES notation for 2-(2-aminophenyl)-2-chloro-N-methylacetamide?
The canonical SMILES for 2-(2-aminophenyl)-2-chloro-N-methylacetamide is CNC(=O)C(Cl)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-2-chloro-N-methylacetamide?
The InChIKey is WLRJLDLWMFMTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-12-9(13)8(10)6-4-2-3-5-7(6)11/h2-5,8H,11H2,1H3,(H,12,13).
What are the key properties of 2-(2-aminophenyl)-2-chloro-N-methylacetamide?
2-(2-aminophenyl)-2-chloro-N-methylacetamide has a molecular weight of 198.65 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-2-chloro-N-methylacetamide is sourced from PubChem (CID 155233545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).