[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium

C14H21ClN3O2+ — CID 8711982

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
SMILESCc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N(C)C
InChIInChI=1S/C14H20ClN3O2/c1-10-5-6-11(15)7-12(10)16-13(19)8-18(4)9-14(20)17(2)3/h5-7H,8-9H2,1-4H3,(H,16,19)/p+1
InChIKeyKNSZDWBVQQBOOV-UHFFFAOYSA-O
MW298.79 g/mol
LogP0.19
Rot. Bonds5

About [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium (PubChem CID 8711982) has the molecular formula C14H21ClN3O2+ and a molecular weight of 298.79 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
PubChem CID8711982
Molecular FormulaC14H21ClN3O2+
Molecular Weight298.79 g/mol
Exact Mass298.13
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
SMILESCc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N(C)C
InChIInChI=1S/C14H20ClN3O2/c1-10-5-6-11(15)7-12(10)16-13(19)8-18(4)9-14(20)17(2)3/h5-7H,8-9H2,1-4H3,(H,16,19)/p+1
InChIKeyKNSZDWBVQQBOOV-UHFFFAOYSA-O
XLogP0.19
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-difluoroanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712228
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712458
[2-(dimethylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8711968
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8910250
(5-chloro-2-methoxyphenyl)methyl-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylazanium
CID 9136454
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9333255
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287746
4-[(R)-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfinyl]-N,N-dimethylbutanamide
CID 97225450
[2-(2-bromoanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712106
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109008556

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium (CID 8711982) is [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium is Cc1ccc(Cl)cc1NC(=O)C[NH+](C)CC(=O)N(C)C.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The InChIKey is KNSZDWBVQQBOOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20ClN3O2/c1-10-5-6-11(15)7-12(10)16-13(19)8-18(4)9-14(20)17(2)3/h5-7H,8-9H2,1-4H3,(H,16,19)/p+1.
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium has a molecular weight of 298.79 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8711982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).