2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol

C20H14ClN3O3 — CID 2391679

IUPAC2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NN=C(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C20H14ClN3O3/c21-17-11-16(20(25)18(12-17)24(26)27)13-22-23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,25H
InChIKeyYKMRKZMSHWYXKJ-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.83
Rot. Bonds5

About 2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol

2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol (PubChem CID 2391679) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol.

Molecular Properties

Compound Name2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol
PubChem CID2391679
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(C=NN=C(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C20H14ClN3O3/c21-17-11-16(20(25)18(12-17)24(26)27)13-22-23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,25H
InChIKeyYKMRKZMSHWYXKJ-UHFFFAOYSA-N
XLogP4.83
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595163
4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol
CID 135595089
2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione
CID 135757360
3-chloro-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135784566
4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol
CID 4090365
N-[(Z)-3-[(2Z)-2-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-1-(2-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 135915933
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
CID 135760746
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595288
4-chloro-2-nitro-6-(pyridin-3-yliminomethyl)phenol
CID 813505
3-acetamido-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 171136007

Frequently Asked Questions

What is the IUPAC name of 2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol?
The IUPAC name of 2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol (CID 2391679) is 2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol.
What is the SMILES notation for 2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol?
The canonical SMILES for 2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol is O=[N+]([O-])c1cc(Cl)cc(C=NN=C(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol?
The InChIKey is YKMRKZMSHWYXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c21-17-11-16(20(25)18(12-17)24(26)27)13-22-23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,25H.
What are the key properties of 2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol?
2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol has a molecular weight of 379.80 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol is sourced from PubChem (CID 2391679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).