N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide

C13H19ClN2O2 — CID 112687413

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C13H19ClN2O2/c1-9(2)18-8-13(17)15-11-7-10(14)5-6-12(11)16(3)4/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeyWGPXTQIQBLYUOR-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.77
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide

N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide (PubChem CID 112687413) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
PubChem CID112687413
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C13H19ClN2O2/c1-9(2)18-8-13(17)15-11-7-10(14)5-6-12(11)16(3)4/h5-7,9H,8H2,1-4H3,(H,15,17)
InChIKeyWGPXTQIQBLYUOR-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95773531
N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 55358736
N-[5-chloro-2-(dimethylamino)phenyl]-2-[4-(difluoromethoxy)phenyl]acetamide
CID 55383304
7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
CID 119858077
N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
CID 55353426

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide (CID 112687413) is N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide?
The InChIKey is WGPXTQIQBLYUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)18-8-13(17)15-11-7-10(14)5-6-12(11)16(3)4/h5-7,9H,8H2,1-4H3,(H,15,17).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide?
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide has a molecular weight of 270.76 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112687413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).