(Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine

C19H15Cl3N4O — CID 144756209

IUPAC(Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine
SMILESN/C=C(/c1ccccc1Cl)N(N)c1cnccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H15Cl3N4O/c20-12-5-6-15(22)19(9-12)27-18-7-8-25-11-17(18)26(24)16(10-23)13-3-1-2-4-14(13)21/h1-11H,23-24H2/b16-10-
InChIKeyIAQRHBXYKRMDCI-YBEGLDIGSA-N
MW421.72 g/mol
LogP5.47
Rot. Bonds5

About (Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine

(Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine (PubChem CID 144756209) has the molecular formula C19H15Cl3N4O and a molecular weight of 421.72 g/mol. Its IUPAC name is (Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine
PubChem CID144756209
Molecular FormulaC19H15Cl3N4O
Molecular Weight421.72 g/mol
Exact Mass420.03
IUPAC Name(Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine
SMILESN/C=C(/c1ccccc1Cl)N(N)c1cnccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H15Cl3N4O/c20-12-5-6-15(22)19(9-12)27-18-7-8-25-11-17(18)26(24)16(10-23)13-3-1-2-4-14(13)21/h1-11H,23-24H2/b16-10-
InChIKeyIAQRHBXYKRMDCI-YBEGLDIGSA-N
XLogP5.47
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.72
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine
CID 144756210
2-(2,5-dichlorophenoxy)-N-(4-methoxy-3-pyridinyl)-N-methylpyridine-3-carboxamide
CID 46194847
4-(2,5-dichlorophenoxy)-3-nitropyridine
CID 52840234
3-[5-(2-chlorophenyl)triazol-1-yl]-4-(2,5-dichlorophenoxy)pyridine
CID 86345504
1,2-dichloro-3-(2,5-dichlorophenoxy)benzene
CID 72941858
N-[5-chloro-2-(dimethylamino)phenyl]-4-(2,5-dichlorophenoxy)-N-methylpyridine-3-carboxamide
CID 53312033
4-(2-chlorophenoxy)pyridin-3-amine
CID 28890150
4-chloro-3-[(3-chloro-4-pyridinyl)oxy]aniline
CID 79841304
[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71459275
[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71461055
tert-butyl 4-[4-(2,5-dichlorophenoxy)pyridine-3-carbonyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 141309045
N-[[4-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254211

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine?
The IUPAC name of (Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine (CID 144756209) is (Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine.
What is the SMILES notation for (Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine?
The canonical SMILES for (Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine is N/C=C(/c1ccccc1Cl)N(N)c1cnccc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of (Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine?
The InChIKey is IAQRHBXYKRMDCI-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H15Cl3N4O/c20-12-5-6-15(22)19(9-12)27-18-7-8-25-11-17(18)26(24)16(10-23)13-3-1-2-4-14(13)21/h1-11H,23-24H2/b16-10-.
What are the key properties of (Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine?
(Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine has a molecular weight of 421.72 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine is sourced from PubChem (CID 144756209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).