N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide

C12H17ClN2O — CID 60841323

IUPACN-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C12H17ClN2O/c1-9-5-6-10(13)8-11(9)15-12(16)4-3-7-14-2/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyKCCHDQBNTJKONV-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.59
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide

N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide (PubChem CID 60841323) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
PubChem CID60841323
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C12H17ClN2O/c1-9-5-6-10(13)8-11(9)15-12(16)4-3-7-14-2/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyKCCHDQBNTJKONV-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119683791
4-chloro-N-ethyl-2-[4-(methylamino)butanoylamino]benzamide
CID 119714153
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151
N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119776592
4-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19191267
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
CID 112997994
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide (CID 60841323) is N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide?
The InChIKey is KCCHDQBNTJKONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-5-6-10(13)8-11(9)15-12(16)4-3-7-14-2/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide?
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide has a molecular weight of 240.73 g/mol, XLogP of 2.59, 5 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)-4-(methylamino)butanamide is sourced from PubChem (CID 60841323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).