3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide

C13H20ClN3O — CID 113307543

IUPAC3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)C(C)(C)CN
InChIInChI=1S/C13H20ClN3O/c1-13(2,8-15)12(18)16-10-7-9(14)5-6-11(10)17(3)4/h5-7H,8,15H2,1-4H3,(H,16,18)
InChIKeyXTQDXBJFLSMBRP-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.33
Rot. Bonds4

About 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide

3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide (PubChem CID 113307543) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide
PubChem CID113307543
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)C(C)(C)CN
InChIInChI=1S/C13H20ClN3O/c1-13(2,8-15)12(18)16-10-7-9(14)5-6-11(10)17(3)4/h5-7H,8,15H2,1-4H3,(H,16,18)
InChIKeyXTQDXBJFLSMBRP-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119676324
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
2,2,2-trifluoroethyl N-[5-chloro-2-(dimethylamino)phenyl]carbamate
CID 65173264
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CID 43710258
7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
CID 119858077
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111435035
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide (CID 113307543) is 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide is CN(C)c1ccc(Cl)cc1NC(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide?
The InChIKey is XTQDXBJFLSMBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-13(2,8-15)12(18)16-10-7-9(14)5-6-11(10)17(3)4/h5-7H,8,15H2,1-4H3,(H,16,18).
What are the key properties of 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide?
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide has a molecular weight of 269.78 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113307543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).