2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide

C10H12Cl2N2O2 — CID 67596093

IUPAC2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
SMILESCN(C(=O)CN)c1ccc(Cl)c(CO)c1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-14(9(16)4-13)8-3-2-7(11)6(5-15)10(8)12/h2-3,15H,4-5,13H2,1H3
InChIKeyKDVBIDJCCXJXGF-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.41
Rot. Bonds3

About 2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide

2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide (PubChem CID 67596093) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
PubChem CID67596093
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide
SMILESCN(C(=O)CN)c1ccc(Cl)c(CO)c1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-14(9(16)4-13)8-3-2-7(11)6(5-15)10(8)12/h2-3,15H,4-5,13H2,1H3
InChIKeyKDVBIDJCCXJXGF-UHFFFAOYSA-N
XLogP1.41
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide
CID 57025898
2-amino-N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dichlorophenyl]-N-methylacetamide
CID 10720224
2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 67736035
N-[3-(bromomethyl)-2,4-dichlorophenyl]-N-methylacetamide
CID 21254728
2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
CID 10764741
[3-[amino-[(Z)-2-aminoethenyl]amino]-2,6-dichlorophenyl]methanol
CID 146437818
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222
2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide
CID 28794580
3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide
CID 19603427
2-amino-N-(2-benzyl-4-chlorophenyl)-N-methylacetamide
CID 145157722
2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 82494478

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide (CID 67596093) is 2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide is CN(C(=O)CN)c1ccc(Cl)c(CO)c1Cl.
What is the InChIKey of 2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide?
The InChIKey is KDVBIDJCCXJXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-14(9(16)4-13)8-3-2-7(11)6(5-15)10(8)12/h2-3,15H,4-5,13H2,1H3.
What are the key properties of 2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide?
2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide has a molecular weight of 263.12 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2,4-dichloro-3-(hydroxymethyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 67596093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).