2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol

C14H11Cl3N2O — CID 137300721

IUPAC2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol
SMILESC/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C14H11Cl3N2O/c1-8(10-4-2-3-5-13(10)20)18-19-14-11(16)6-9(15)7-12(14)17/h2-7,19-20H,1H3/b18-8-
InChIKeyKOGRDDVBRZAHKK-LSCVHKIXSA-N
MW329.61 g/mol
LogP5.19
Rot. Bonds3

About 2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol

2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol (PubChem CID 137300721) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is 2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol
PubChem CID137300721
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC Name2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol
SMILESC/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C14H11Cl3N2O/c1-8(10-4-2-3-5-13(10)20)18-19-14-11(16)6-9(15)7-12(14)17/h2-7,19-20H,1H3/b18-8-
InChIKeyKOGRDDVBRZAHKK-LSCVHKIXSA-N
XLogP5.19
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.61
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(E)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol
CID 135445548
2,4,6-trichloro-N-[1-(4-chlorophenyl)ethylideneamino]aniline
CID 4291691
2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline
CID 3972659
2,4,6-trichloro-N-(1-pyridin-4-ylethylideneamino)aniline
CID 5006880
2-[(Z)-C-methyl-N-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]carbonimidoyl]phenol
CID 136836653
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
2-(2-chlorophenyl)-2-oxo-N-(2,4,6-trichloroanilino)ethanimidoyl cyanide
CID 73122114
2,4-dichloro-6-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenol
CID 135846344
N-(but-3-en-2-ylideneamino)-2,4,6-trichloroaniline
CID 529810
2-(2,4-dichlorophenoxy)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135490414
N-[2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine
CID 135456479
(NE)-N-[(2E)-2-[(2,4,6-trichlorophenyl)hydrazinylidene]propylidene]hydroxylamine
CID 135445545

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol?
The IUPAC name of 2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol (CID 137300721) is 2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol.
What is the SMILES notation for 2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol?
The canonical SMILES for 2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol is C/C(=N/Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1O.
What is the InChIKey of 2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol?
The InChIKey is KOGRDDVBRZAHKK-LSCVHKIXSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-8(10-4-2-3-5-13(10)20)18-19-14-11(16)6-9(15)7-12(14)17/h2-7,19-20H,1H3/b18-8-.
What are the key properties of 2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol?
2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol has a molecular weight of 329.61 g/mol, XLogP of 5.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-C-methyl-N-(2,4,6-trichloroanilino)carbonimidoyl]phenol is sourced from PubChem (CID 137300721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).