2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide

C14H19Cl2NO3 — CID 19826571

IUPAC2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide
SMILESCOc1cccc(CN(C(=O)C(Cl)Cl)C(C)C)c1OC
InChIInChI=1S/C14H19Cl2NO3/c1-9(2)17(14(18)13(15)16)8-10-6-5-7-11(19-3)12(10)20-4/h5-7,9,13H,8H2,1-4H3
InChIKeyNDFFPOYQUXJSSL-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.24
Rot. Bonds6

About 2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide

2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide (PubChem CID 19826571) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide
PubChem CID19826571
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide
SMILESCOc1cccc(CN(C(=O)C(Cl)Cl)C(C)C)c1OC
InChIInChI=1S/C14H19Cl2NO3/c1-9(2)17(14(18)13(15)16)8-10-6-5-7-11(19-3)12(10)20-4/h5-7,9,13H,8H2,1-4H3
InChIKeyNDFFPOYQUXJSSL-UHFFFAOYSA-N
XLogP3.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide 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

2,2-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 19826633
2-hydroxy-N-propan-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 24860184
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 62856311
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide
CID 104684287
2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol
CID 42837199
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 46630581
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 42913829
2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
CID 79346244
1-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-3-propan-2-yloxypropan-2-ol
CID 24713571
(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9169420

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide (CID 19826571) is 2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide is COc1cccc(CN(C(=O)C(Cl)Cl)C(C)C)c1OC.
What is the InChIKey of 2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide?
The InChIKey is NDFFPOYQUXJSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-9(2)17(14(18)13(15)16)8-10-6-5-7-11(19-3)12(10)20-4/h5-7,9,13H,8H2,1-4H3.
What are the key properties of 2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide?
2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide has a molecular weight of 320.22 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 19826571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).