[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate

C26H26ClN3O4 — CID 67483232

IUPAC[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCc1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C26H26ClN3O4/c27-23-14-17(12-13-24(23)31)25(32)30-28-15-18-10-11-19(22-9-5-4-8-21(18)22)16-34-26(33)29-20-6-2-1-3-7-20/h4-5,8-15,20,31H,1-3,6-7,16H2,(H,29,33)(H,30,32)
InChIKeyMIAUVSWXALWLTK-UHFFFAOYSA-N
MW479.96 g/mol
LogP5.52
Rot. Bonds6

About [4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate

[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate (PubChem CID 67483232) has the molecular formula C26H26ClN3O4 and a molecular weight of 479.96 g/mol. Its IUPAC name is [4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate
PubChem CID67483232
Molecular FormulaC26H26ClN3O4
Molecular Weight479.96 g/mol
Exact Mass479.16
IUPAC Name[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCc1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C26H26ClN3O4/c27-23-14-17(12-13-24(23)31)25(32)30-28-15-18-10-11-19(22-9-5-4-8-21(18)22)16-34-26(33)29-20-6-2-1-3-7-20/h4-5,8-15,20,31H,1-3,6-7,16H2,(H,29,33)(H,30,32)
InChIKeyMIAUVSWXALWLTK-UHFFFAOYSA-N
XLogP5.52
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.96
LogP ≤ 55.52
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]naphthalen-1-yl]methyl N-propan-2-ylcarbamate
CID 59092077
N-[(E)-[4-[2-[2-aminoethyl(cyclohexyl)amino]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 87419185
4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide
CID 59091755
3-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59092201
N-[[4-[2-(1-aminocyclohexyl)ethenyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 54074918
3-chloro-4-hydroxy-N-[(E)-[4-[2-oxo-2-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethyl]naphthalen-1-yl]methylideneamino]benzamide
CID 59092597
N-[(E)-[4-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 59091609
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
3-chloro-N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-4-hydroxybenzamide
CID 59092067
3-chloro-4-hydroxy-N-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]naphthalen-1-yl]methylideneamino]benzamide
CID 77301008
4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid
CID 67483815

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate?
The IUPAC name of [4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate (CID 67483232) is [4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate.
What is the SMILES notation for [4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate?
The canonical SMILES for [4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OCc1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)c2ccccc12.
What is the InChIKey of [4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate?
The InChIKey is MIAUVSWXALWLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O4/c27-23-14-17(12-13-24(23)31)25(32)30-28-15-18-10-11-19(22-9-5-4-8-21(18)22)16-34-26(33)29-20-6-2-1-3-7-20/h4-5,8-15,20,31H,1-3,6-7,16H2,(H,29,33)(H,30,32).
What are the key properties of [4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate?
[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate has a molecular weight of 479.96 g/mol, XLogP of 5.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate is sourced from PubChem (CID 67483232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).