2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide

C11H15ClN2O2 — CID 130275786

IUPAC2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide
SMILESCOc1c(N)ccc(CC(=O)N(C)C)c1Cl
InChIInChI=1S/C11H15ClN2O2/c1-14(2)9(15)6-7-4-5-8(13)11(16-3)10(7)12/h4-5H,6,13H2,1-3H3
InChIKeyHRUBDRCMIVBIOG-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.56
Rot. Bonds3

About 2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide

2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide (PubChem CID 130275786) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide
PubChem CID130275786
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide
SMILESCOc1c(N)ccc(CC(=O)N(C)C)c1Cl
InChIInChI=1S/C11H15ClN2O2/c1-14(2)9(15)6-7-4-5-8(13)11(16-3)10(7)12/h4-5H,6,13H2,1-3H3
InChIKeyHRUBDRCMIVBIOG-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride
CID 166541260
1-(4-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022302
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
2-(4-amino-2,5-dichlorophenyl)-N,N-dimethylacetamide
CID 130276365
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115
2-(3,4-diamino-2-methoxyphenyl)acetic acid
CID 171010615
2-[2-methoxy-3-(methylamino)phenyl]-N,N-dimethylacetamide
CID 166541108
2-(4-amino-2-chloro-5-methylphenyl)-N,N-dimethylacetamide
CID 130276926
1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one
CID 54232083
methyl 2-(3,6-diamino-2-methoxyphenyl)acetate
CID 171030798
N,N-dimethyl-2-(6-methyl-2-oxo-1H-pyridin-3-yl)acetamide
CID 167265438
2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide
CID 130277045

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide (CID 130275786) is 2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide is COc1c(N)ccc(CC(=O)N(C)C)c1Cl.
What is the InChIKey of 2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide?
The InChIKey is HRUBDRCMIVBIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14(2)9(15)6-7-4-5-8(13)11(16-3)10(7)12/h4-5H,6,13H2,1-3H3.
What are the key properties of 2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide?
2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide has a molecular weight of 242.71 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 130275786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).