(Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine

C15H12Cl2FNO — CID 70957057

IUPAC(Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine
SMILESCOc1ccc(Cl)cc1/C=C(\N)c1ccc(Cl)cc1F
InChIInChI=1S/C15H12Cl2FNO/c1-20-15-5-3-10(16)6-9(15)7-14(19)12-4-2-11(17)8-13(12)18/h2-8H,19H2,1H3/b14-7-
InChIKeyGRAXVZGWAAESSO-AUWJEWJLSA-N
MW312.17 g/mol
LogP4.60
Rot. Bonds3

About (Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine

(Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine (PubChem CID 70957057) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is (Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine.

Molecular Properties

Compound Name(Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine
PubChem CID70957057
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name(Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine
SMILESCOc1ccc(Cl)cc1/C=C(\N)c1ccc(Cl)cc1F
InChIInChI=1S/C15H12Cl2FNO/c1-20-15-5-3-10(16)6-9(15)7-14(19)12-4-2-11(17)8-13(12)18/h2-8H,19H2,1H3/b14-7-
InChIKeyGRAXVZGWAAESSO-AUWJEWJLSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methoxybenzamide
CID 19741766
(E)-3-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enenitrile
CID 1248348
(4-chloro-2-methoxyphenyl) carbamate
CID 130017787
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
4-chloro-2-[(Z)-2-chloro-2-nitroethenyl]-1-methoxybenzene
CID 10658158
(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301430
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
CID 61014183
4-(5-chloro-2-methoxyanilino)-2-fluorobenzenecarbothioamide
CID 115367799
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl chloride
CID 19317726

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine?
The IUPAC name of (Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine (CID 70957057) is (Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine.
What is the SMILES notation for (Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine?
The canonical SMILES for (Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine is COc1ccc(Cl)cc1/C=C(\N)c1ccc(Cl)cc1F.
What is the InChIKey of (Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine?
The InChIKey is GRAXVZGWAAESSO-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c1-20-15-5-3-10(16)6-9(15)7-14(19)12-4-2-11(17)8-13(12)18/h2-8H,19H2,1H3/b14-7-.
What are the key properties of (Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine?
(Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine has a molecular weight of 312.17 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethenamine is sourced from PubChem (CID 70957057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).