2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide

C20H17FN2O2 — CID 140578793

IUPAC2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide
SMILESNC(=O)c1c(CC=NOCc2cccc(F)c2)ccc2ccccc12
InChIInChI=1S/C20H17FN2O2/c21-17-6-3-4-14(12-17)13-25-23-11-10-16-9-8-15-5-1-2-7-18(15)19(16)20(22)24/h1-9,11-12H,10,13H2,(H2,22,24)
InChIKeyOPRJIEPEWPRHBS-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.82
Rot. Bonds6

About 2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide

2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide (PubChem CID 140578793) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide
PubChem CID140578793
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide
SMILESNC(=O)c1c(CC=NOCc2cccc(F)c2)ccc2ccccc12
InChIInChI=1S/C20H17FN2O2/c21-17-6-3-4-14(12-17)13-25-23-11-10-16-9-8-15-5-1-2-7-18(15)19(16)20(22)24/h1-9,11-12H,10,13H2,(H2,22,24)
InChIKeyOPRJIEPEWPRHBS-UHFFFAOYSA-N
XLogP3.82
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.82
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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Related Compounds

N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]naphthalene-2-carboxamide
CID 155513254
1-N-hydroxy-3-N-(naphthalen-1-ylmethoxy)benzene-1,3-dicarboxamide
CID 164609124
2-[(2E)-2-(2-fluoroethoxyimino)ethyl]naphthalene-1-carboxamide
CID 87170300
4-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
CID 126500090
2-[2-(2-Fluoroethoxyimino)ethyl]naphthalene-1-carboxamide
CID 140578760
2-(2-methoxyiminoethyl)-4-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
CID 140578766
2-[2-[(3,4-Difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide
CID 140578780
2-[2-[(4-Fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide
CID 140578791
2-(2-methoxyiminoethyl)-4-[5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-4H-1,2-oxazol-3-yl]naphthalene-1-carboxamide
CID 140578803
2-[2-[(2,3-Difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide
CID 140578806
2-[2-[(2,6-Difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide
CID 140578810
2-[2-[(2,4-Difluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide
CID 140578816

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of 2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide (CID 140578793) is 2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide is NC(=O)c1c(CC=NOCc2cccc(F)c2)ccc2ccccc12.
What is the InChIKey of 2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide?
The InChIKey is OPRJIEPEWPRHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-17-6-3-4-14(12-17)13-25-23-11-10-16-9-8-15-5-1-2-7-18(15)19(16)20(22)24/h1-9,11-12H,10,13H2,(H2,22,24).
What are the key properties of 2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide?
2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 140578793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).