3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide

C27H23Cl2N3O2 — CID 72514241

IUPAC3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
SMILESCC(NCc1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C27H23Cl2N3O2/c1-17(18-8-11-22(28)12-9-18)30-15-20-6-7-21(24-5-3-2-4-23(20)24)16-31-32-27(34)19-10-13-26(33)25(29)14-19/h2-14,16-17,30,33H,15H2,1H3,(H,32,34)
InChIKeyWRSXUWLYDUWINN-UHFFFAOYSA-N
MW492.41 g/mol
LogP6.47
Rot. Bonds7

About 3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide

3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 72514241) has the molecular formula C27H23Cl2N3O2 and a molecular weight of 492.41 g/mol. Its IUPAC name is 3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID72514241
Molecular FormulaC27H23Cl2N3O2
Molecular Weight492.41 g/mol
Exact Mass491.12
IUPAC Name3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
SMILESCC(NCc1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C27H23Cl2N3O2/c1-17(18-8-11-22(28)12-9-18)30-15-20-6-7-21(24-5-3-2-4-23(20)24)16-31-32-27(34)19-10-13-26(33)25(29)14-19/h2-14,16-17,30,33H,15H2,1H3,(H,32,34)
InChIKeyWRSXUWLYDUWINN-UHFFFAOYSA-N
XLogP6.47
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.41
LogP ≤ 56.47
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'}

Analyze 3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[(E)-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59092370
3-chloro-N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-4-hydroxybenzamide
CID 59092067
[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-1-yl]methyl N-propan-2-ylcarbamate
CID 59092077
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-4-hydroxy-N-[[4-[[(5-methylfuran-2-yl)methylamino]methyl]naphthalen-1-yl]methylideneamino]benzamide
CID 72514151
3-chloro-4-hydroxy-N-[(E)-[4-(4-propan-2-ylphenoxy)naphthalen-1-yl]methylideneamino]benzamide
CID 59091617
3-chloro-4-hydroxy-N-[(E)-[4-[(thiophen-2-ylmethylamino)methyl]naphthalen-1-yl]methylideneamino]benzamide
CID 59092688
3-chloro-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59092201
3-chloro-4-hydroxy-N-[[4-(1-hydroxy-3-methylbutyl)naphthalen-1-yl]methylideneamino]benzamide
CID 72514584
3-chloro-N-[[4-[2-[2-(2,6-dichlorophenyl)ethylamino]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 72514298
3-chloro-4-hydroxy-N-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]naphthalen-1-yl]methylideneamino]benzamide
CID 77301008
3-chloro-N-[[4-[2-[2-(4-fluoroanilino)ethylamino]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 72514117

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide (CID 72514241) is 3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide is CC(NCc1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is WRSXUWLYDUWINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N3O2/c1-17(18-8-11-22(28)12-9-18)30-15-20-6-7-21(24-5-3-2-4-23(20)24)16-31-32-27(34)19-10-13-26(33)25(29)14-19/h2-14,16-17,30,33H,15H2,1H3,(H,32,34).
What are the key properties of 3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 492.41 g/mol, XLogP of 6.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-[[1-(4-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 72514241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).