2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide

C19H13Cl3FNO2 — CID 18551342

IUPAC2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide
SMILESO=C(Nc1ccccc1OCc1cc(F)cc2ccccc12)C(Cl)(Cl)Cl
InChIInChI=1S/C19H13Cl3FNO2/c20-19(21,22)18(25)24-16-7-3-4-8-17(16)26-11-13-10-14(23)9-12-5-1-2-6-15(12)13/h1-10H,11H2,(H,24,25)
InChIKeyKBNMAAGZSSAQFN-UHFFFAOYSA-N
MW412.68 g/mol
LogP5.87
Rot. Bonds4

About 2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide

2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide (PubChem CID 18551342) has the molecular formula C19H13Cl3FNO2 and a molecular weight of 412.68 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide
PubChem CID18551342
Molecular FormulaC19H13Cl3FNO2
Molecular Weight412.68 g/mol
Exact Mass411.00
IUPAC Name2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide
SMILESO=C(Nc1ccccc1OCc1cc(F)cc2ccccc12)C(Cl)(Cl)Cl
InChIInChI=1S/C19H13Cl3FNO2/c20-19(21,22)18(25)24-16-7-3-4-8-17(16)26-11-13-10-14(23)9-12-5-1-2-6-15(12)13/h1-10H,11H2,(H,24,25)
InChIKeyKBNMAAGZSSAQFN-UHFFFAOYSA-N
XLogP5.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.68
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide (CID 18551342) is 2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide is O=C(Nc1ccccc1OCc1cc(F)cc2ccccc12)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide?
The InChIKey is KBNMAAGZSSAQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3FNO2/c20-19(21,22)18(25)24-16-7-3-4-8-17(16)26-11-13-10-14(23)9-12-5-1-2-6-15(12)13/h1-10H,11H2,(H,24,25).
What are the key properties of 2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide?
2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide has a molecular weight of 412.68 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[2-[(3-fluoronaphthalen-1-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 18551342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).