N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline

C11H6Cl2F2N4 — CID 176675526

IUPACN-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline
SMILESFc1ccc(N/N=C\c2cnc(Cl)nc2Cl)c(F)c1
InChIInChI=1S/C11H6Cl2F2N4/c12-10-6(4-16-11(13)18-10)5-17-19-9-2-1-7(14)3-8(9)15/h1-5,19H/b17-5-
InChIKeyNLGIZMCXWGQNFQ-ZWSORDCHSA-N
MW303.10 g/mol
LogP3.51
Rot. Bonds3

About N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline

N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline (PubChem CID 176675526) has the molecular formula C11H6Cl2F2N4 and a molecular weight of 303.10 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline
PubChem CID176675526
Molecular FormulaC11H6Cl2F2N4
Molecular Weight303.10 g/mol
Exact Mass301.99
IUPAC NameN-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline
SMILESFc1ccc(N/N=C\c2cnc(Cl)nc2Cl)c(F)c1
InChIInChI=1S/C11H6Cl2F2N4/c12-10-6(4-16-11(13)18-10)5-17-19-9-2-1-7(14)3-8(9)15/h1-5,19H/b17-5-
InChIKeyNLGIZMCXWGQNFQ-ZWSORDCHSA-N
XLogP3.51
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline?
The IUPAC name of N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline (CID 176675526) is N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline.
What is the SMILES notation for N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline?
The canonical SMILES for N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline is Fc1ccc(N/N=C\c2cnc(Cl)nc2Cl)c(F)c1.
What is the InChIKey of N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline?
The InChIKey is NLGIZMCXWGQNFQ-ZWSORDCHSA-N. The full InChI is InChI=1S/C11H6Cl2F2N4/c12-10-6(4-16-11(13)18-10)5-17-19-9-2-1-7(14)3-8(9)15/h1-5,19H/b17-5-.
What are the key properties of N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline?
N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline has a molecular weight of 303.10 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dichloropyrimidin-5-yl)methylideneamino]-2,4-difluoroaniline is sourced from PubChem (CID 176675526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).