3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine

C15H12Cl2F3N3 — CID 4526509

IUPAC3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCC/N=C/c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C15H12Cl2F3N3/c16-12-3-1-10(2-4-12)8-21-5-6-22-14-13(17)7-11(9-23-14)15(18,19)20/h1-4,7-9H,5-6H2,(H,22,23)/b21-8+
InChIKeyFMOVHCCDPDNVGG-ODCIPOBUSA-N
MW362.18 g/mol
LogP4.94
Rot. Bonds5

About 3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 4526509) has the molecular formula C15H12Cl2F3N3 and a molecular weight of 362.18 g/mol. Its IUPAC name is 3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID4526509
Molecular FormulaC15H12Cl2F3N3
Molecular Weight362.18 g/mol
Exact Mass361.04
IUPAC Name3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCC/N=C/c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C15H12Cl2F3N3/c16-12-3-1-10(2-4-12)8-21-5-6-22-14-13(17)7-11(9-23-14)15(18,19)20/h1-4,7-9H,5-6H2,(H,22,23)/b21-8+
InChIKeyFMOVHCCDPDNVGG-ODCIPOBUSA-N
XLogP4.94
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 4526509) is 3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCC/N=C/c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FMOVHCCDPDNVGG-ODCIPOBUSA-N. The full InChI is InChI=1S/C15H12Cl2F3N3/c16-12-3-1-10(2-4-12)8-21-5-6-22-14-13(17)7-11(9-23-14)15(18,19)20/h1-4,7-9H,5-6H2,(H,22,23)/b21-8+.
What are the key properties of 3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 362.18 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(4-chlorophenyl)methylideneamino]ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 4526509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).