2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline

C15H12ClF3N2 — CID 16555887

IUPAC2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
SMILESC/C(=N\Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2/c1-10(20-21-14-8-3-2-7-13(14)16)11-5-4-6-12(9-11)15(17,18)19/h2-9,21H,1H3/b20-10+
InChIKeySPNKMXPFOFDMGY-KEBDBYFISA-N
MW312.72 g/mol
LogP5.19
Rot. Bonds3

About 2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline

2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline (PubChem CID 16555887) has the molecular formula C15H12ClF3N2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline.

Molecular Properties

Compound Name2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
PubChem CID16555887
Molecular FormulaC15H12ClF3N2
Molecular Weight312.72 g/mol
Exact Mass312.06
IUPAC Name2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
SMILESC/C(=N\Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H12ClF3N2/c1-10(20-21-14-8-3-2-7-13(14)16)11-5-4-6-12(9-11)15(17,18)19/h2-9,21H,1H3/b20-10+
InChIKeySPNKMXPFOFDMGY-KEBDBYFISA-N
XLogP5.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.72
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline
CID 3312956
2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 18224635
4-[(2Z)-2-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 6083934
4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
1-ethyl-3-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]thiourea
CID 5147935
3-[[3-[(Z)-N-(2-chloroanilino)-C-methylcarbonimidoyl]phenyl]sulfonylamino]propanoic acid
CID 9069723
3-nitro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 46566982
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(1-phenylethylideneamino)oxamide
CID 3457721
1-[(E)-1-(3-aminophenyl)ethylideneamino]-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
CID 18290324
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28521330
2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide
CID 5050427
N-(benzhydrylideneamino)-2-chloroaniline
CID 11515058

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline?
The IUPAC name of 2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline (CID 16555887) is 2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline.
What is the SMILES notation for 2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline?
The canonical SMILES for 2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline is C/C(=N\Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline?
The InChIKey is SPNKMXPFOFDMGY-KEBDBYFISA-N. The full InChI is InChI=1S/C15H12ClF3N2/c1-10(20-21-14-8-3-2-7-13(14)16)11-5-4-6-12(9-11)15(17,18)19/h2-9,21H,1H3/b20-10+.
What are the key properties of 2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline?
2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline has a molecular weight of 312.72 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline is sourced from PubChem (CID 16555887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).