N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide

C28H24FN3O3 — CID 3911519

IUPACN-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1F)NN=Cc1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C28H24FN3O3/c29-24-12-6-7-13-25(24)31-27(33)16-17-28(34)32-30-18-23-22-11-5-4-10-21(22)14-15-26(23)35-19-20-8-2-1-3-9-20/h1-15,18H,16-17,19H2,(H,31,33)(H,32,34)
InChIKeyCNLWYGQODWIUIC-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.43
Rot. Bonds9

About N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide

N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide (PubChem CID 3911519) has the molecular formula C28H24FN3O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
PubChem CID3911519
Molecular FormulaC28H24FN3O3
Molecular Weight469.52 g/mol
Exact Mass469.18
IUPAC NameN-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1F)NN=Cc1c(OCc2ccccc2)ccc2ccccc12
InChIInChI=1S/C28H24FN3O3/c29-24-12-6-7-13-25(24)31-27(33)16-17-28(34)32-30-18-23-22-11-5-4-10-21(22)14-15-26(23)35-19-20-8-2-1-3-9-20/h1-15,18H,16-17,19H2,(H,31,33)(H,32,34)
InChIKeyCNLWYGQODWIUIC-UHFFFAOYSA-N
XLogP5.43
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.43
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

N-(4-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3580883
N-(2-fluorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanediamide
CID 135684747
N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 3675600
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N'-(2-fluorophenyl)-2-methylpropanediamide
CID 3998585
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-fluorophenyl)oxamide
CID 8932160
N-(2,3-dimethylphenyl)-N'-[(2-ethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 4988186
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3990640
2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide
CID 2892920
2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6031148
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
CID 85032915
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6111701
2-(2,4-dimethylphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 92657960

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide?
The IUPAC name of N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide (CID 3911519) is N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide?
The canonical SMILES for N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1ccccc1F)NN=Cc1c(OCc2ccccc2)ccc2ccccc12.
What is the InChIKey of N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide?
The InChIKey is CNLWYGQODWIUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O3/c29-24-12-6-7-13-25(24)31-27(33)16-17-28(34)32-30-18-23-22-11-5-4-10-21(22)14-15-26(23)35-19-20-8-2-1-3-9-20/h1-15,18H,16-17,19H2,(H,31,33)(H,32,34).
What are the key properties of N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide?
N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide has a molecular weight of 469.52 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide is sourced from PubChem (CID 3911519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).