3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide

C24H24ClN3O3 — CID 10982999

IUPAC3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
SMILESCCN(CC)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C24H24ClN3O3/c1-3-28(4-2)23(30)14-16-9-10-18(20-8-6-5-7-19(16)20)15-26-27-24(31)17-11-12-22(29)21(25)13-17/h5-13,15,29H,3-4,14H2,1-2H3,(H,27,31)/b26-15+
InChIKeyGEOISDOUNNJVEU-CVKSISIWSA-N
MW437.93 g/mol
LogP4.37
Rot. Bonds7

About 3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide

3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 10982999) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID10982999
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
SMILESCCN(CC)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
InChIInChI=1S/C24H24ClN3O3/c1-3-28(4-2)23(30)14-16-9-10-18(20-8-6-5-7-19(16)20)15-26-27-24(31)17-11-12-22(29)21(25)13-17/h5-13,15,29H,3-4,14H2,1-2H3,(H,27,31)/b26-15+
InChIKeyGEOISDOUNNJVEU-CVKSISIWSA-N
XLogP4.37
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.37
H-Bond Donors ≤ 52
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-4-hydroxy-benzoic acid (4-methoxy-naphthalen-1-ylmethylene)-hydrazide
CID 10450820
N-[(E)-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]naphthalen-1-yl]methylideneamino]-3-cyano-4-hydroxybenzamide
CID 10864579
4-[(3-Chloro-4-hydroxy-benzoyl)-hydrazonomethyl]-naphthalene-1-carboxylic acid [2-(4-chloro-phenyl)-ethyl]-amide
CID 10907299
3-chloro-N-[(E)-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 10918616
N-{4-[(3-Chloro-4-hydroxy-benzoyl)-hydrazonomethyl]-naphthalen-1-yl}-2,2-dimethyl-propionamide
CID 10928006
3-Chloro-4-hydroxy-benzoic acid {4-[2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-naphthalen-1-ylmethylene}-hydrazide
CID 10929597
3-Chloro-4-hydroxy-benzoic acid {4-[4-(4-chloro-benzyl)-piperazine-1-carbonyl]-naphthalen-1-ylmethylene}-hydrazide
CID 10951864
3-Chloro-4-hydroxy-benzoic acid (4-hydroxymethyl-naphthalen-1-ylmethylene)-hydrazide
CID 10970292
2-{4-[(3-Cyano-4-hydroxy-benzoyl)-hydrazonomethyl]-naphthalen-1-yl}-N,N-diethyl-acetamide
CID 11048232
3-Chloro-4-hydroxy-benzoic acid {4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-naphthalen-1-ylmethylene}-hydrazide
CID 11048896
3-Chloro-4-hydroxy-benzoic acid (5-hydroxymethyl-naphthalen-1-ylmethylene)-hydrazide
CID 11068219
3-chloro-N-[(E)-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 11082135

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide (CID 10982999) is 3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide is CCN(CC)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12.
What is the InChIKey of 3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is GEOISDOUNNJVEU-CVKSISIWSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-3-28(4-2)23(30)14-16-9-10-18(20-8-6-5-7-19(16)20)15-26-27-24(31)17-11-12-22(29)21(25)13-17/h5-13,15,29H,3-4,14H2,1-2H3,(H,27,31)/b26-15+.
What are the key properties of 3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide?
3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 437.93 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-[4-[2-(diethylamino)-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 10982999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).