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

C12H17ClN2O — CID 79195653

IUPACN-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C12H17ClN2O/c1-8-4-5-10(13)6-11(8)15-12(16)9(2)7-14-3/h4-6,9,14H,7H2,1-3H3,(H,15,16)
InChIKeyOWLXXBWASCVTIS-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.44
Rot. Bonds4

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

N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 79195653) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID79195653
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C12H17ClN2O/c1-8-4-5-10(13)6-11(8)15-12(16)9(2)7-14-3/h4-6,9,14H,7H2,1-3H3,(H,15,16)
InChIKeyOWLXXBWASCVTIS-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
CID 119725778
4-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195606
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride
CID 119713991
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195644
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119895285
2-methyl-3-(methylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 119725693
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
2-methyl-3-(methylamino)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119725692
(2R)-N-(5-chloro-2-methylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 40793214
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide (CID 79195653) is N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is OWLXXBWASCVTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-4-5-10(13)6-11(8)15-12(16)9(2)7-14-3/h4-6,9,14H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide?
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 240.73 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79195653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).