amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide

C14H11ClF3N4O3- — CID 59665164

IUPACamino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide
SMILESCOC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(Cl)[N-]N
InChIInChI=1S/C14H11ClF3N4O3/c1-24-13(23)9-7-8(4-5-11(9)22(15)21-19)25-12-10(14(16,17)18)3-2-6-20-12/h2-7H,19H2,1H3/q-1
InChIKeyNSQXBIXDQAJYAR-UHFFFAOYSA-N
MW375.71 g/mol
LogP3.80
Rot. Bonds5

About amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide

amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide (PubChem CID 59665164) has the molecular formula C14H11ClF3N4O3- and a molecular weight of 375.71 g/mol. Its IUPAC name is amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide.

Molecular Properties

Compound Nameamino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide
PubChem CID59665164
Molecular FormulaC14H11ClF3N4O3-
Molecular Weight375.71 g/mol
Exact Mass375.05
IUPAC Nameamino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide
SMILESCOC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(Cl)[N-]N
InChIInChI=1S/C14H11ClF3N4O3/c1-24-13(23)9-7-8(4-5-11(9)22(15)21-19)25-12-10(14(16,17)18)3-2-6-20-12/h2-7H,19H2,1H3/q-1
InChIKeyNSQXBIXDQAJYAR-UHFFFAOYSA-N
XLogP3.80
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.71
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide?
The IUPAC name of amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide (CID 59665164) is amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide.
What is the SMILES notation for amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide?
The canonical SMILES for amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide is COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N(Cl)[N-]N.
What is the InChIKey of amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide?
The InChIKey is NSQXBIXDQAJYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N4O3/c1-24-13(23)9-7-8(4-5-11(9)22(15)21-19)25-12-10(14(16,17)18)3-2-6-20-12/h2-7H,19H2,1H3/q-1.
What are the key properties of amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide?
amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide has a molecular weight of 375.71 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[N-chloro-2-methoxycarbonyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]azanide is sourced from PubChem (CID 59665164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).