3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide

C18H17FN2O2 — CID 877454

IUPAC3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
SMILESCc1c(O)ccc2c1CCCC2=NNC(=O)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O2/c1-11-14-6-3-7-16(15(14)8-9-17(11)22)20-21-18(23)12-4-2-5-13(19)10-12/h2,4-5,8-10,22H,3,6-7H2,1H3,(H,21,23)
InChIKeyJZGGDPOJSQPUCR-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.31
Rot. Bonds2

About 3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide

3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide (PubChem CID 877454) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
PubChem CID877454
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
SMILESCc1c(O)ccc2c1CCCC2=NNC(=O)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O2/c1-11-14-6-3-7-16(15(14)8-9-17(11)22)20-21-18(23)12-4-2-5-13(19)10-12/h2,4-5,8-10,22H,3,6-7H2,1H3,(H,21,23)
InChIKeyJZGGDPOJSQPUCR-UHFFFAOYSA-N
XLogP3.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

[(E)-(5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]urea
CID 6253555
N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-4-hydroxybenzamide
CID 4838886
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826
3-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
CID 795218
3-chloro-N-[(E)-[2-[[(4-fluorobenzoyl)amino]carbamoyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19157513
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837703
4-amino-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 135622319
4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 135755140
(2E)-2-[(3-fluorobenzoyl)hydrazinylidene]propanoic acid
CID 102524209
N-(cyclododecylideneamino)-3-methylbenzamide
CID 4110960
(4E)-4-[(3-chlorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid
CID 19157529

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The IUPAC name of 3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide (CID 877454) is 3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The canonical SMILES for 3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide is Cc1c(O)ccc2c1CCCC2=NNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
The InChIKey is JZGGDPOJSQPUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-14-6-3-7-16(15(14)8-9-17(11)22)20-21-18(23)12-4-2-5-13(19)10-12/h2,4-5,8-10,22H,3,6-7H2,1H3,(H,21,23).
What are the key properties of 3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide?
3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide has a molecular weight of 312.34 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(6-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide is sourced from PubChem (CID 877454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).