2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide

C20H16F2N2O2 — CID 140578816

IUPAC2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide
SMILESNC(=O)c1c(CC=NOCc2ccc(F)cc2F)ccc2ccccc12
InChIInChI=1S/C20H16F2N2O2/c21-16-8-7-15(18(22)11-16)12-26-24-10-9-14-6-5-13-3-1-2-4-17(13)19(14)20(23)25/h1-8,10-11H,9,12H2,(H2,23,25)
InChIKeyYIEPGZJEBUIKAG-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.96
Rot. Bonds6

About 2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide

2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide (PubChem CID 140578816) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide
PubChem CID140578816
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide
SMILESNC(=O)c1c(CC=NOCc2ccc(F)cc2F)ccc2ccccc12
InChIInChI=1S/C20H16F2N2O2/c21-16-8-7-15(18(22)11-16)12-26-24-10-9-14-6-5-13-3-1-2-4-17(13)19(14)20(23)25/h1-8,10-11H,9,12H2,(H2,23,25)
InChIKeyYIEPGZJEBUIKAG-UHFFFAOYSA-N
XLogP3.96
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of 2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide (CID 140578816) is 2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide is NC(=O)c1c(CC=NOCc2ccc(F)cc2F)ccc2ccccc12.
What is the InChIKey of 2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide?
The InChIKey is YIEPGZJEBUIKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c21-16-8-7-15(18(22)11-16)12-26-24-10-9-14-6-5-13-3-1-2-4-17(13)19(14)20(23)25/h1-8,10-11H,9,12H2,(H2,23,25).
What are the key properties of 2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide?
2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 140578816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).