2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline

C15H12ClF3N2 — CID 3312956

IUPAC2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline
SMILESCC(=NNc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H12ClF3N2/c1-10(11-5-3-2-4-6-11)20-21-14-9-12(15(17,18)19)7-8-13(14)16/h2-9,21H,1H3
InChIKeySFFDBSQLEYPYAQ-UHFFFAOYSA-N
MW312.72 g/mol
LogP5.19
Rot. Bonds3

About 2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline

2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline (PubChem CID 3312956) has the molecular formula C15H12ClF3N2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline
PubChem CID3312956
Molecular FormulaC15H12ClF3N2
Molecular Weight312.72 g/mol
Exact Mass312.06
IUPAC Name2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline
SMILESCC(=NNc1cc(C(F)(F)F)ccc1Cl)c1ccccc1
InChIInChI=1S/C15H12ClF3N2/c1-10(11-5-3-2-4-6-11)20-21-14-9-12(15(17,18)19)7-8-13(14)16/h2-9,21H,1H3
InChIKeySFFDBSQLEYPYAQ-UHFFFAOYSA-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-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 16555887
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(1-phenylethylideneamino)oxamide
CID 3457721
4-[(Z)-N-[2-chloro-5-(trifluoromethyl)anilino]-C-methylcarbonimidoyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 6090509
[4-[(E)-N-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] benzoate
CID 19660784
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 4688997
4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
1-[(E)-1-(3-aminophenyl)ethylideneamino]-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
CID 18290324
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 6007515
4-chloro-3-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 8974194
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea
CID 6038260
methyl (2Z)-2-[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate
CID 138395565
2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 18224635

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline (CID 3312956) is 2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline is CC(=NNc1cc(C(F)(F)F)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline?
The InChIKey is SFFDBSQLEYPYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2/c1-10(11-5-3-2-4-6-11)20-21-14-9-12(15(17,18)19)7-8-13(14)16/h2-9,21H,1H3.
What are the key properties of 2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline?
2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)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-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 3312956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).