N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide

C21H20FNO3 — CID 24517721

IUPACN-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCCCOc1ccccc1F
InChIInChI=1S/C21H20FNO3/c1-25-20-14-16-8-3-2-7-15(16)13-17(20)21(24)23-11-6-12-26-19-10-5-4-9-18(19)22/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,23,24)
InChIKeyXRNRFJURFCMOHV-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.19
Rot. Bonds7

About N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide

N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 24517721) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID24517721
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCCCOc1ccccc1F
InChIInChI=1S/C21H20FNO3/c1-25-20-14-16-8-3-2-7-15(16)13-17(20)21(24)23-11-6-12-26-19-10-5-4-9-18(19)22/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,23,24)
InChIKeyXRNRFJURFCMOHV-UHFFFAOYSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-2,5-dimethoxybenzamide
CID 18113619
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
2-fluoro-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26555567
N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
CID 18170636
N-[2-(2,4-difluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102332
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
6-fluoro-N-[3-(2-fluorophenoxy)propyl]-2-methylquinoline-3-carboxamide
CID 46975779
N-[(3-fluoro-4-methylphenyl)methyl]-3-methoxynaphthalene-2-carboxamide
CID 24535452
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42571761
2-fluoro-N-[2-(2-methoxy-4-methylphenoxy)ethyl]benzamide
CID 113101791
3-(3,5-dimethoxyphenyl)-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 18120342

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide (CID 24517721) is N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NCCCOc1ccccc1F.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is XRNRFJURFCMOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-25-20-14-16-8-3-2-7-15(16)13-17(20)21(24)23-11-6-12-26-19-10-5-4-9-18(19)22/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,23,24).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide?
N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 24517721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).