7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide

C20H17FN2O3 — CID 87467122

IUPAC7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
SMILESO=C(NO)c1ccc2ccc(C(=O)NCCc3cccc(F)c3)cc2c1
InChIInChI=1S/C20H17FN2O3/c21-18-3-1-2-13(10-18)8-9-22-19(24)15-6-4-14-5-7-16(20(25)23-26)12-17(14)11-15/h1-7,10-12,26H,8-9H2,(H,22,24)(H,23,25)
InChIKeyPKLCAXLOLLJNCS-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.07
Rot. Bonds5

About 7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide

7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide (PubChem CID 87467122) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
PubChem CID87467122
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
SMILESO=C(NO)c1ccc2ccc(C(=O)NCCc3cccc(F)c3)cc2c1
InChIInChI=1S/C20H17FN2O3/c21-18-3-1-2-13(10-18)8-9-22-19(24)15-6-4-14-5-7-16(20(25)23-26)12-17(14)11-15/h1-7,10-12,26H,8-9H2,(H,22,24)(H,23,25)
InChIKeyPKLCAXLOLLJNCS-UHFFFAOYSA-N
XLogP3.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide
CID 104851939
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
N-[2-(3-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 63866185
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336

Frequently Asked Questions

What is the IUPAC name of 7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide?
The IUPAC name of 7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide (CID 87467122) is 7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide.
What is the SMILES notation for 7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide?
The canonical SMILES for 7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide is O=C(NO)c1ccc2ccc(C(=O)NCCc3cccc(F)c3)cc2c1.
What is the InChIKey of 7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide?
The InChIKey is PKLCAXLOLLJNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-18-3-1-2-13(10-18)8-9-22-19(24)15-6-4-14-5-7-16(20(25)23-26)12-17(14)11-15/h1-7,10-12,26H,8-9H2,(H,22,24)(H,23,25).
What are the key properties of 7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide?
7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide is sourced from PubChem (CID 87467122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).