[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C15H23ClN3O2+ — CID 9049037

IUPAC[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)C)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-10(2)17-14(20)8-19(4)9-15(21)18-12-6-5-11(3)13(16)7-12/h5-7,10H,8-9H2,1-4H3,(H,17,20)(H,18,21)/p+1
InChIKeyFKVYOKXEDLXYIC-UHFFFAOYSA-O
MW312.82 g/mol
LogP0.63
Rot. Bonds6

About [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9049037) has the molecular formula C15H23ClN3O2+ and a molecular weight of 312.82 g/mol. Its IUPAC name is [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9049037
Molecular FormulaC15H23ClN3O2+
Molecular Weight312.82 g/mol
Exact Mass312.15
IUPAC Name[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCc1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)C)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-10(2)17-14(20)8-19(4)9-15(21)18-12-6-5-11(3)13(16)7-12/h5-7,10H,8-9H2,1-4H3,(H,17,20)(H,18,21)/p+1
InChIKeyFKVYOKXEDLXYIC-UHFFFAOYSA-O
XLogP0.63
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964028
(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-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049865
[2-(4-ethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049187
[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588581
(2S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194812
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9049037) is [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)C)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is FKVYOKXEDLXYIC-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(2)17-14(20)8-19(4)9-15(21)18-12-6-5-11(3)13(16)7-12/h5-7,10H,8-9H2,1-4H3,(H,17,20)(H,18,21)/p+1.
What are the key properties of [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 312.82 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9049037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).