N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide

C17H20ClN3O — CID 55353426

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CN(C)c1ccccc1
InChIInChI=1S/C17H20ClN3O/c1-20(2)16-10-9-13(18)11-15(16)19-17(22)12-21(3)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyXHAASAWAOFKICO-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.48
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide

N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide (PubChem CID 55353426) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
PubChem CID55353426
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CN(C)c1ccccc1
InChIInChI=1S/C17H20ClN3O/c1-20(2)16-10-9-13(18)11-15(16)19-17(22)12-21(3)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyXHAASAWAOFKICO-UHFFFAOYSA-N
XLogP3.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide
CID 52689468
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
N-(2-chloro-4-methoxyphenyl)-2-(N-methylanilino)acetamide
CID 86860335
N-(2-amino-5-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62002960
N-[5-chloro-2-(dimethylamino)phenyl]-3-indol-1-ylpropanamide
CID 56532124
7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
CID 119858077
N-[5-chloro-2-(dimethylamino)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914827

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide (CID 55353426) is N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide is CN(C)c1ccc(Cl)cc1NC(=O)CN(C)c1ccccc1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide?
The InChIKey is XHAASAWAOFKICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-20(2)16-10-9-13(18)11-15(16)19-17(22)12-21(3)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,19,22).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide?
N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide has a molecular weight of 317.82 g/mol, XLogP of 3.48, 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-(N-methylanilino)acetamide is sourced from PubChem (CID 55353426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).