4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid

C20H15ClN2O2 — CID 169382644

IUPAC4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccc(C=NNc2ccccc2)cc1
InChIInChI=1S/C20H15ClN2O2/c21-16-10-11-18(20(24)25)19(12-16)15-8-6-14(7-9-15)13-22-23-17-4-2-1-3-5-17/h1-13,23H,(H,24,25)
InChIKeyKJQKDQFWQZWHLS-UHFFFAOYSA-N
MW350.81 g/mol
LogP5.15
Rot. Bonds5

About 4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid

4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid (PubChem CID 169382644) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid
PubChem CID169382644
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-c1ccc(C=NNc2ccccc2)cc1
InChIInChI=1S/C20H15ClN2O2/c21-16-10-11-18(20(24)25)19(12-16)15-8-6-14(7-9-15)13-22-23-17-4-2-1-3-5-17/h1-13,23H,(H,24,25)
InChIKeyKJQKDQFWQZWHLS-UHFFFAOYSA-N
XLogP5.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.81
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-chloro-2-phenylbenzoic acid
CID 11424784
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
4-chloro-2-[4-(hydroxymethyl)phenyl]benzoic acid
CID 53225386
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline
CID 169383529
3-[4-[(phenylhydrazinylidene)methyl]phenyl]-5-(trifluoromethyl)benzoic acid
CID 169382658
N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
CID 6107807
4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
CID 53228734
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid?
The IUPAC name of 4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid (CID 169382644) is 4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid.
What is the SMILES notation for 4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid?
The canonical SMILES for 4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid is O=C(O)c1ccc(Cl)cc1-c1ccc(C=NNc2ccccc2)cc1.
What is the InChIKey of 4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid?
The InChIKey is KJQKDQFWQZWHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c21-16-10-11-18(20(24)25)19(12-16)15-8-6-14(7-9-15)13-22-23-17-4-2-1-3-5-17/h1-13,23H,(H,24,25).
What are the key properties of 4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid?
4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid has a molecular weight of 350.81 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid is sourced from PubChem (CID 169382644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).