4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol

C19H13ClN2O3 — CID 122518423

IUPAC4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(O)cc3)cc2)c1
InChIInChI=1S/C19H13ClN2O3/c20-19-10-7-16(22(24)25)11-18(19)14-3-1-13(2-4-14)12-21-15-5-8-17(23)9-6-15/h1-12,23H/b21-12+
InChIKeyUWVUUVWBUNDGCS-CIAFOILYSA-N
MW352.78 g/mol
LogP5.37
Rot. Bonds4

About 4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol

4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol (PubChem CID 122518423) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol.

Molecular Properties

Compound Name4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol
PubChem CID122518423
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(O)cc3)cc2)c1
InChIInChI=1S/C19H13ClN2O3/c20-19-10-7-16(22(24)25)11-18(19)14-3-1-13(2-4-14)12-21-15-5-8-17(23)9-6-15/h1-12,23H/b21-12+
InChIKeyUWVUUVWBUNDGCS-CIAFOILYSA-N
XLogP5.37
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.78
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

1-(2-chloro-5-nitrophenyl)-N-[4-[4-[(2-chloro-5-nitrophenyl)methylideneamino]phenyl]phenyl]methanimine
CID 3109084
2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol
CID 71362397
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104
1-(2-chloro-5-nitrophenyl)-N-(4-chlorophenyl)methanimine
CID 792217
N-(3-chloro-4-methylphenyl)-1-(4-nitrophenyl)methanimine
CID 690795
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol
CID 4685118
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
1-chloro-2-(4-methylphenyl)-4-nitrobenzene;formamide
CID 144972005
1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
CID 792316
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol?
The IUPAC name of 4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol (CID 122518423) is 4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol.
What is the SMILES notation for 4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol?
The canonical SMILES for 4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol is O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(O)cc3)cc2)c1.
What is the InChIKey of 4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol?
The InChIKey is UWVUUVWBUNDGCS-CIAFOILYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-19-10-7-16(22(24)25)11-18(19)14-3-1-13(2-4-14)12-21-15-5-8-17(23)9-6-15/h1-12,23H/b21-12+.
What are the key properties of 4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol?
4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol has a molecular weight of 352.78 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-chloro-5-nitrophenyl)phenyl]methylideneamino]phenol is sourced from PubChem (CID 122518423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).