4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide

C18H17ClN2O2 — CID 135755140

IUPAC4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
SMILESCc1ccc(O)c2c1CCC/C2=N\NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-11-5-10-16(22)17-14(11)3-2-4-15(17)20-21-18(23)12-6-8-13(19)9-7-12/h5-10,22H,2-4H2,1H3,(H,21,23)/b20-15+
InChIKeyAXDORWLUMXICAA-HMMYKYKNSA-N
MW328.80 g/mol
LogP3.82
Rot. Bonds2

About 4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide

4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide (PubChem CID 135755140) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
PubChem CID135755140
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
SMILESCc1ccc(O)c2c1CCC/C2=N\NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-11-5-10-16(22)17-14(11)3-2-4-15(17)20-21-18(23)12-6-8-13(19)9-7-12/h5-10,22H,2-4H2,1H3,(H,21,23)/b20-15+
InChIKeyAXDORWLUMXICAA-HMMYKYKNSA-N
XLogP3.82
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 135622319
4-ethoxy-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 135577256
(4E)-4-[(4-chlorobenzoyl)hydrazinylidene]-N-(5-chloro-2-methylphenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155774
4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide
CID 135849252
(4E)-4-[(4-chlorobenzoyl)hydrazinylidene]-N-(3-chloro-4-methylphenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155771
(4E)-4-[(4-chlorobenzoyl)hydrazinylidene]-3-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155819
(4E)-N-(4-bromophenyl)-4-[(4-chlorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155821
(4E)-4-(benzoylhydrazinylidene)-N-(5-chloro-2-methylphenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155102
N-[(E)-[2-[[(4-chlorobenzoyl)amino]carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-nitrobenzamide
CID 19156503
N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
CID 4838886
4-chloro-N-[(E)-[3-methyl-2-[[(2-phenylacetyl)amino]carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19155845
N-[(E)-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-hydroxybenzamide
CID 19156345

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide (CID 135755140) is 4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide is Cc1ccc(O)c2c1CCC/C2=N\NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The InChIKey is AXDORWLUMXICAA-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-5-10-16(22)17-14(11)3-2-4-15(17)20-21-18(23)12-6-8-13(19)9-7-12/h5-10,22H,2-4H2,1H3,(H,21,23)/b20-15+.
What are the key properties of 4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide has a molecular weight of 328.80 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide is sourced from PubChem (CID 135755140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).