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

C12H18Cl2N2O — CID 119705332

IUPACN-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(C)ccc1Cl.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-9-5-6-10(13)11(8-9)15-12(16)4-3-7-14-2;/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16);1H
InChIKeyFZVPSZAJLIHIAT-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.01
Rot. Bonds5

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

N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119705332) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119705332
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC NameN-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(C)ccc1Cl.Cl
InChIInChI=1S/C12H17ClN2O.ClH/c1-9-5-6-10(13)11(8-9)15-12(16)4-3-7-14-2;/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16);1H
InChIKeyFZVPSZAJLIHIAT-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.01
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-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide
CID 83628932
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119705341
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(methylamino)butanamide;hydrochloride
CID 119683791
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide
CID 25239160
tert-butyl 4-(2-chloro-5-methylanilino)-4-oxobutanoate
CID 106812284

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride (CID 119705332) is N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1cc(C)ccc1Cl.Cl.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is FZVPSZAJLIHIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O.ClH/c1-9-5-6-10(13)11(8-9)15-12(16)4-3-7-14-2;/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride?
N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 277.19 g/mol, XLogP of 3.01, 5 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)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119705332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).