[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium

C18H22ClN2O+ — CID 8964028

IUPAC[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)Cc2ccccc2C)cc1Cl
InChIInChI=1S/C18H21ClN2O/c1-13-6-4-5-7-15(13)11-21(3)12-18(22)20-16-9-8-14(2)17(19)10-16/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1
InChIKeyOZKGNLYZDCIYCM-UHFFFAOYSA-O
MW317.84 g/mol
LogP2.61
Rot. Bonds5

About [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium

[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 8964028) has the molecular formula C18H22ClN2O+ and a molecular weight of 317.84 g/mol. Its IUPAC name is [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
PubChem CID8964028
Molecular FormulaC18H22ClN2O+
Molecular Weight317.84 g/mol
Exact Mass317.14
IUPAC Name[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)Cc2ccccc2C)cc1Cl
InChIInChI=1S/C18H21ClN2O/c1-13-6-4-5-7-15(13)11-21(3)12-18(22)20-16-9-8-14(2)17(19)10-16/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1
InChIKeyOZKGNLYZDCIYCM-UHFFFAOYSA-O
XLogP2.61
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 9058001
(4-tert-butylphenyl)methyl-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 2477413
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286490
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049037
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 60615922
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 9057833
methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8791101
2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998185
2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 60748562
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964600
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035345

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium (CID 8964028) is [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium is Cc1ccc(NC(=O)C[NH+](C)Cc2ccccc2C)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is OZKGNLYZDCIYCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21ClN2O/c1-13-6-4-5-7-15(13)11-21(3)12-18(22)20-16-9-8-14(2)17(19)10-16/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1.
What are the key properties of [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 317.84 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 8964028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).