4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid

C19H13ClN2O4 — CID 67483815

IUPAC4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid
SMILESO=C(NN=Cc1ccc(C(=O)O)c2ccccc12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C19H13ClN2O4/c20-16-9-11(6-8-17(16)23)18(24)22-21-10-12-5-7-15(19(25)26)14-4-2-1-3-13(12)14/h1-10,23H,(H,22,24)(H,25,26)
InChIKeyBIIZOTYJUYIRQE-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.66
Rot. Bonds4

About 4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid

4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid (PubChem CID 67483815) has the molecular formula C19H13ClN2O4 and a molecular weight of 368.78 g/mol. Its IUPAC name is 4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid
PubChem CID67483815
Molecular FormulaC19H13ClN2O4
Molecular Weight368.78 g/mol
Exact Mass368.06
IUPAC Name4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid
SMILESO=C(NN=Cc1ccc(C(=O)O)c2ccccc12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C19H13ClN2O4/c20-16-9-11(6-8-17(16)23)18(24)22-21-10-12-5-7-15(19(25)26)14-4-2-1-3-13(12)14/h1-10,23H,(H,22,24)(H,25,26)
InChIKeyBIIZOTYJUYIRQE-UHFFFAOYSA-N
XLogP3.66
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-chloro-N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-4-hydroxybenzamide
CID 59092067
3-chloro-4-hydroxy-N-[[4-(3-phenylprop-1-enyl)naphthalen-1-yl]methylideneamino]benzamide
CID 72513914
N-[[4-(3-aminoprop-1-enyl)naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 72514389
N-[(2-chloro-4-fluorophenyl)methyl]-4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxamide
CID 72514100
4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-[2-(4-fluorophenyl)ethyl]naphthalene-1-carboxamide
CID 72513793
4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide
CID 59091707
5-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]pent-4-ynoic acid
CID 72514485
4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-methyl-N-(naphthalen-1-ylmethyl)naphthalene-1-carboxamide
CID 59092095
3,4-dihydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135442286
3-chloro-4-hydroxy-N-[(E)-[4-(2-hydroxyethoxy)naphthalen-1-yl]methylideneamino]benzamide
CID 59092381
4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide
CID 59091755
N-[[4-[2-(1-aminocyclohexyl)ethenyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 54074918

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid?
The IUPAC name of 4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid (CID 67483815) is 4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid is O=C(NN=Cc1ccc(C(=O)O)c2ccccc12)c1ccc(O)c(Cl)c1.
What is the InChIKey of 4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid?
The InChIKey is BIIZOTYJUYIRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O4/c20-16-9-11(6-8-17(16)23)18(24)22-21-10-12-5-7-15(19(25)26)14-4-2-1-3-13(12)14/h1-10,23H,(H,22,24)(H,25,26).
What are the key properties of 4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid?
4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid has a molecular weight of 368.78 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 67483815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).