4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide

C28H24ClN3O4 — CID 59091707

IUPAC4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide
SMILESCN(CC(O)c1ccccc1)C(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C28H24ClN3O4/c1-32(17-26(34)18-7-3-2-4-8-18)28(36)23-13-11-20(21-9-5-6-10-22(21)23)16-30-31-27(35)19-12-14-25(33)24(29)15-19/h2-16,26,33-34H,17H2,1H3,(H,31,35)/b30-16+
InChIKeyRCFKKDMHFLCNDN-OKCVXOCRSA-N
MW501.97 g/mol
LogP4.77
Rot. Bonds7

About 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide

4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide (PubChem CID 59091707) has the molecular formula C28H24ClN3O4 and a molecular weight of 501.97 g/mol. Its IUPAC name is 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide
PubChem CID59091707
Molecular FormulaC28H24ClN3O4
Molecular Weight501.97 g/mol
Exact Mass501.15
IUPAC Name4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide
SMILESCN(CC(O)c1ccccc1)C(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C28H24ClN3O4/c1-32(17-26(34)18-7-3-2-4-8-18)28(36)23-13-11-20(21-9-5-6-10-22(21)23)16-30-31-27(35)19-12-14-25(33)24(29)15-19/h2-16,26,33-34H,17H2,1H3,(H,31,35)/b30-16+
InChIKeyRCFKKDMHFLCNDN-OKCVXOCRSA-N
XLogP4.77
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.97
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-methyl-N-(naphthalen-1-ylmethyl)naphthalene-1-carboxamide
CID 59092095
4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid
CID 67483815
3-chloro-4-hydroxy-N-[[4-(1-hydroxy-3-methylbutyl)naphthalen-1-yl]methylideneamino]benzamide
CID 72514584
3-chloro-N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-4-hydroxybenzamide
CID 59092067
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
3-chloro-4-hydroxy-N-[[4-(3-phenylprop-1-enyl)naphthalen-1-yl]methylideneamino]benzamide
CID 72513914
N-[(E)-[4-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 59091609
3-chloro-N-[[4-[3-(diethylamino)-3-oxoprop-1-enyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 72514360
5-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]pent-4-ynoic acid
CID 72514485
N-[[4-(3-aminoprop-1-enyl)naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 72514389
3-chloro-4-hydroxy-N-[(E)-[4-(2-hydroxyethoxy)naphthalen-1-yl]methylideneamino]benzamide
CID 59092381

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide (CID 59091707) is 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide is CN(CC(O)c1ccccc1)C(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12.
What is the InChIKey of 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide?
The InChIKey is RCFKKDMHFLCNDN-OKCVXOCRSA-N. The full InChI is InChI=1S/C28H24ClN3O4/c1-32(17-26(34)18-7-3-2-4-8-18)28(36)23-13-11-20(21-9-5-6-10-22(21)23)16-30-31-27(35)19-12-14-25(33)24(29)15-19/h2-16,26,33-34H,17H2,1H3,(H,31,35)/b30-16+.
What are the key properties of 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide?
4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide has a molecular weight of 501.97 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-hydroxy-2-phenylethyl)-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 59091707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).