N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide

C11H15ClN2O — CID 83628932

IUPACN-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1cc(C)ccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8-3-4-9(12)10(7-8)14-11(15)5-6-13-2/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyGBXHROONTVUVFT-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.20
Rot. Bonds4

About N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide

N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide (PubChem CID 83628932) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide
PubChem CID83628932
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1cc(C)ccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-8-3-4-9(12)10(7-8)14-11(15)5-6-13-2/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyGBXHROONTVUVFT-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119705332
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119705341
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide
CID 25239160
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349
tert-butyl 4-(2-chloro-5-methylanilino)-4-oxobutanoate
CID 106812284
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
3-(methylamino)-N-(6-methylnaphthalen-2-yl)propanamide
CID 115153197
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide (CID 83628932) is N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide is CNCCC(=O)Nc1cc(C)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide?
The InChIKey is GBXHROONTVUVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-3-4-9(12)10(7-8)14-11(15)5-6-13-2/h3-4,7,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide?
N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide has a molecular weight of 226.71 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide is sourced from PubChem (CID 83628932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).