butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride

C13H20Cl2N2O — CID 22378

IUPACbutyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride
SMILESCCCC[NH2+]CC(=O)Nc1c(C)cccc1Cl.[Cl-]
InChIInChI=1S/C13H19ClN2O.ClH/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14;/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);1H
InChIKeyWROUIBGUWODUPA-UHFFFAOYSA-N
MW291.22 g/mol
LogP-1.05
Rot. Bonds6

About butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride

butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride (PubChem CID 22378) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride.

Molecular Properties

Compound Namebutyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride
PubChem CID22378
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Namebutyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride
SMILESCCCC[NH2+]CC(=O)Nc1c(C)cccc1Cl.[Cl-]
InChIInChI=1S/C13H19ClN2O.ClH/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14;/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);1H
InChIKeyWROUIBGUWODUPA-UHFFFAOYSA-N
XLogP-1.05
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Prilocaine Hydrochloride
CID 92163
8-chloroquinolin-2(1H)-one
CID 4204917
Butanilicaine
CID 22379
2-Chloro-6-methylphenylformamide
CID 244436
N-(4-Chloro-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
CID 6493742
N-(2,4-Dichloro-6-methylphenyl)acetamide
CID 297912
o-Propionotoluidide, 6'-chloro-2-(diethylamino)-, hydrochloride
CID 3060534
4-Chloro-2-methylacetanilide
CID 78877
2-chloro-N-({[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl}methyl)-N-(propan-2-yl)acetamide
CID 2103995
N-(3-chloro-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 237729
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4969408
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6466542

Frequently Asked Questions

What is the IUPAC name of butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride?
The IUPAC name of butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride (CID 22378) is butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride.
What is the SMILES notation for butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride?
The canonical SMILES for butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride is CCCC[NH2+]CC(=O)Nc1c(C)cccc1Cl.[Cl-].
What is the InChIKey of butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride?
The InChIKey is WROUIBGUWODUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14;/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);1H.
What are the key properties of butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride?
butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride has a molecular weight of 291.22 g/mol, XLogP of -1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(2-chloro-6-methylanilino)-2-oxoethyl]azanium chloride is sourced from PubChem (CID 22378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).