4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide

C31H34ClN3O3 — CID 59091755

IUPAC4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide
SMILESO=C(N/N=C/c1ccc(C(=O)NC2CCCCC2C2CCCCC2)c2ccccc12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C31H34ClN3O3/c32-27-18-21(15-17-29(27)36)30(37)35-33-19-22-14-16-26(25-12-5-4-10-23(22)25)31(38)34-28-13-7-6-11-24(28)20-8-2-1-3-9-20/h4-5,10,12,14-20,24,28,36H,1-3,6-9,11,13H2,(H,34,38)(H,35,37)/b33-19+
InChIKeyMNWBDMLEGJAQRX-HNSNBQBZSA-N
MW532.08 g/mol
LogP6.83
Rot. Bonds6

About 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide

4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide (PubChem CID 59091755) has the molecular formula C31H34ClN3O3 and a molecular weight of 532.08 g/mol. Its IUPAC name is 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide
PubChem CID59091755
Molecular FormulaC31H34ClN3O3
Molecular Weight532.08 g/mol
Exact Mass531.23
IUPAC Name4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide
SMILESO=C(N/N=C/c1ccc(C(=O)NC2CCCCC2C2CCCCC2)c2ccccc12)c1ccc(O)c(Cl)c1
InChIInChI=1S/C31H34ClN3O3/c32-27-18-21(15-17-29(27)36)30(37)35-33-19-22-14-16-26(25-12-5-4-10-23(22)25)31(38)34-28-13-7-6-11-24(28)20-8-2-1-3-9-20/h4-5,10,12,14-20,24,28,36H,1-3,6-9,11,13H2,(H,34,38)(H,35,37)/b33-19+
InChIKeyMNWBDMLEGJAQRX-HNSNBQBZSA-N
XLogP6.83
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.08
LogP ≤ 56.83
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

4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid
CID 67483815
[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-cyclohexylcarbamate
CID 67483232
3-chloro-N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-4-hydroxybenzamide
CID 59092067
N-[[4-[2-(1-aminocyclohexyl)ethenyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 54074918
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
N-[(E)-[4-[2-[2-aminoethyl(cyclohexyl)amino]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 87419185
N-[[4-(3-aminoprop-1-enyl)naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 72514389
N-[[4-[2-(1-aminocyclohexyl)ethynyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 54009670
3-chloro-4-hydroxy-N-[[4-(3-phenylprop-1-enyl)naphthalen-1-yl]methylideneamino]benzamide
CID 72513914
3-chloro-4-hydroxy-N-[[4-(1-hydroxy-3-methylbutyl)naphthalen-1-yl]methylideneamino]benzamide
CID 72514584
4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-methyl-N-(naphthalen-1-ylmethyl)naphthalene-1-carboxamide
CID 59092095

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide?
The IUPAC name of 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide (CID 59091755) is 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide.
What is the SMILES notation for 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide?
The canonical SMILES for 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide is O=C(N/N=C/c1ccc(C(=O)NC2CCCCC2C2CCCCC2)c2ccccc12)c1ccc(O)c(Cl)c1.
What is the InChIKey of 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide?
The InChIKey is MNWBDMLEGJAQRX-HNSNBQBZSA-N. The full InChI is InChI=1S/C31H34ClN3O3/c32-27-18-21(15-17-29(27)36)30(37)35-33-19-22-14-16-26(25-12-5-4-10-23(22)25)31(38)34-28-13-7-6-11-24(28)20-8-2-1-3-9-20/h4-5,10,12,14-20,24,28,36H,1-3,6-9,11,13H2,(H,34,38)(H,35,37)/b33-19+.
What are the key properties of 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide?
4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide has a molecular weight of 532.08 g/mol, XLogP of 6.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-(2-cyclohexylcyclohexyl)naphthalene-1-carboxamide is sourced from PubChem (CID 59091755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).