N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide

C31H24FN3O3 — CID 6021400

About N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide

N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide (PubChem CID 6021400) has the molecular formula C31H24FN3O3 and a molecular weight of 505.55 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
• PubChem CID: 6021400
• Molecular Formula: C31H24FN3O3
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.18
• IUPAC Name: N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
• SMILES: O=C(CNC(=O)c1cccc2ccccc12)N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12
• InChI: InChI=1S/C31H24FN3O3/c32-24-15-12-21(13-16-24)20-38-29-17-14-23-7-2-4-10-26(23)28(29)18-34-35-30(36)19-33-31(37)27-11-5-8-22-6-1-3-9-25(22)27/h1-18H,19-20H2,(H,33,37)(H,35,36)/b34-18-
• InChIKey: YADRYIUFZNLZKM-HQDYHJHZSA-N
• XLogP: 5.59
• TPSA: 79.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?

The IUPAC name of N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide (CID 6021400) is N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?

The canonical SMILES for N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is O=C(CNC(=O)c1cccc2ccccc12)N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12.

What is the InChIKey of N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?

The InChIKey is YADRYIUFZNLZKM-HQDYHJHZSA-N. The full InChI is InChI=1S/C31H24FN3O3/c32-24-15-12-21(13-16-24)20-38-29-17-14-23-7-2-4-10-26(23)28(29)18-34-35-30(36)19-33-31(37)27-11-5-8-22-6-1-3-9-25(22)27/h1-18H,19-20H2,(H,33,37)(H,35,36)/b34-18-.

What are the key properties of N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide?

N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide has a molecular weight of 505.55 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 6021400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).