(2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium

C16H16Cl2N3O3+ — CID 9039683

IUPAC(2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2N3O3/c1-20(9-11-5-4-6-12(17)16(11)18)10-15(22)19-13-7-2-3-8-14(13)21(23)24/h2-8H,9-10H2,1H3,(H,19,22)/p+1
InChIKeyRKOVEXBEEJBXDV-UHFFFAOYSA-O
MW369.23 g/mol
LogP2.56
Rot. Bonds6

About (2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium

(2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium (PubChem CID 9039683) has the molecular formula C16H16Cl2N3O3+ and a molecular weight of 369.23 g/mol. Its IUPAC name is (2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
PubChem CID9039683
Molecular FormulaC16H16Cl2N3O3+
Molecular Weight369.23 g/mol
Exact Mass368.06
IUPAC Name(2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2N3O3/c1-20(9-11-5-4-6-12(17)16(11)18)10-15(22)19-13-7-2-3-8-14(13)21(23)24/h2-8H,9-10H2,1H3,(H,19,22)/p+1
InChIKeyRKOVEXBEEJBXDV-UHFFFAOYSA-O
XLogP2.56
TPSA76.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
CID 8678630
(4-ethylphenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 7830803
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 9288051
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 8550925
[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 9304248
(2,3-dichlorophenyl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9039568
[2-(4-cyanoanilino)-2-oxoethyl]-[(2,3-dichlorophenyl)methyl]-methylazanium
CID 2698653
1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium
CID 8746243
benzyl-[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-methylazanium
CID 8901362
[2-(2-chloroanilino)-2-oxoethyl]-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037777
[2-(2-chloroanilino)-2-oxoethyl]-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037855
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium?
The IUPAC name of (2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium (CID 9039683) is (2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium.
What is the SMILES notation for (2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium?
The canonical SMILES for (2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium is C[NH+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium?
The InChIKey is RKOVEXBEEJBXDV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-20(9-11-5-4-6-12(17)16(11)18)10-15(22)19-13-7-2-3-8-14(13)21(23)24/h2-8H,9-10H2,1H3,(H,19,22)/p+1.
What are the key properties of (2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium?
(2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium has a molecular weight of 369.23 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)methyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9039683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).