N-(2-amino-5-chlorophenyl)-N-methylacetamide

C9H11ClN2O — CID 107465702

IUPACN-(2-amino-5-chlorophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1cc(Cl)ccc1N
InChIInChI=1S/C9H11ClN2O/c1-6(13)12(2)9-5-7(10)3-4-8(9)11/h3-5H,11H2,1-2H3
InChIKeyYFOYNPABRWBMRG-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.90
Rot. Bonds1

About N-(2-amino-5-chlorophenyl)-N-methylacetamide

N-(2-amino-5-chlorophenyl)-N-methylacetamide (PubChem CID 107465702) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N-methylacetamide
PubChem CID107465702
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN-(2-amino-5-chlorophenyl)-N-methylacetamide
SMILESCC(=O)N(C)c1cc(Cl)ccc1N
InChIInChI=1S/C9H11ClN2O/c1-6(13)12(2)9-5-7(10)3-4-8(9)11/h3-5H,11H2,1-2H3
InChIKeyYFOYNPABRWBMRG-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.90
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

N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986
N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
CID 107465748
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 107465678
N-(2-amino-5-chlorophenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 107465510
1-(2-amino-5-chlorophenyl)-3-(3-chlorophenyl)-1-methylurea
CID 107465973
N-(2-amino-5-chlorophenyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 107465822
N-(2-amino-5-chlorophenyl)-3-hydroxy-N-methylbenzamide
CID 107465613
N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide
CID 107465550
1-(2-amino-5-chlorophenyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 107465978

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N-methylacetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N-methylacetamide (CID 107465702) is N-(2-amino-5-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N-methylacetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N-methylacetamide is CC(=O)N(C)c1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N-methylacetamide?
The InChIKey is YFOYNPABRWBMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-6(13)12(2)9-5-7(10)3-4-8(9)11/h3-5H,11H2,1-2H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N-methylacetamide?
N-(2-amino-5-chlorophenyl)-N-methylacetamide has a molecular weight of 198.65 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 107465702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).