N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

C19H14Cl3FN2O — CID 91565843

IUPACN-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
SMILESFc1ccc(Cl)c(CCON(c2ccc(Cl)cc2)c2ccccn2)c1Cl
InChIInChI=1S/C19H14Cl3FN2O/c20-13-4-6-14(7-5-13)25(18-3-1-2-11-24-18)26-12-10-15-16(21)8-9-17(23)19(15)22/h1-9,11H,10,12H2
InChIKeyRPYJPQZOTMEGRC-UHFFFAOYSA-N
MW411.69 g/mol
LogP6.49
Rot. Bonds6

About N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (PubChem CID 91565843) has the molecular formula C19H14Cl3FN2O and a molecular weight of 411.69 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
PubChem CID91565843
Molecular FormulaC19H14Cl3FN2O
Molecular Weight411.69 g/mol
Exact Mass410.02
IUPAC NameN-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
SMILESFc1ccc(Cl)c(CCON(c2ccc(Cl)cc2)c2ccccn2)c1Cl
InChIInChI=1S/C19H14Cl3FN2O/c20-13-4-6-14(7-5-13)25(18-3-1-2-11-24-18)26-12-10-15-16(21)8-9-17(23)19(15)22/h1-9,11H,10,12H2
InChIKeyRPYJPQZOTMEGRC-UHFFFAOYSA-N
XLogP6.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.69
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 123793159
CID 123793159
7-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridin-2-ylfuro[3,2-c]pyridin-6-amine
CID 90937526
N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide
CID 141427487
1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene
CID 118830415
N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide
CID 121408639
3-[2-(2-chloro-3,6-difluorophenyl)ethoxy]-2-nitropyridine
CID 90205884
5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine
CID 171334273
N-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 141003031
(1R)-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 81402040
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
N-(2,4-difluorophenyl)-N-methylpyridin-2-amine
CID 59327751
1-[(2,6-dichloro-3-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385518

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (CID 91565843) is N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is Fc1ccc(Cl)c(CCON(c2ccc(Cl)cc2)c2ccccn2)c1Cl.
What is the InChIKey of N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
The InChIKey is RPYJPQZOTMEGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3FN2O/c20-13-4-6-14(7-5-13)25(18-3-1-2-11-24-18)26-12-10-15-16(21)8-9-17(23)19(15)22/h1-9,11H,10,12H2.
What are the key properties of N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?
N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine has a molecular weight of 411.69 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 91565843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).