2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide

C20H17Cl3N2O — CID 4287529

IUPAC2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide
SMILESO=C(Cc1ccccc1)NC(Nc1cccc2ccccc12)C(Cl)(Cl)Cl
InChIInChI=1S/C20H17Cl3N2O/c21-20(22,23)19(25-18(26)13-14-7-2-1-3-8-14)24-17-12-6-10-15-9-4-5-11-16(15)17/h1-12,19,24H,13H2,(H,25,26)
InChIKeyINXGQZGQVLGBLJ-UHFFFAOYSA-N
MW407.73 g/mol
LogP5.31
Rot. Bonds5

About 2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide

2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide (PubChem CID 4287529) has the molecular formula C20H17Cl3N2O and a molecular weight of 407.73 g/mol. Its IUPAC name is 2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide
PubChem CID4287529
Molecular FormulaC20H17Cl3N2O
Molecular Weight407.73 g/mol
Exact Mass406.04
IUPAC Name2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide
SMILESO=C(Cc1ccccc1)NC(Nc1cccc2ccccc12)C(Cl)(Cl)Cl
InChIInChI=1S/C20H17Cl3N2O/c21-20(22,23)19(25-18(26)13-14-7-2-1-3-8-14)24-17-12-6-10-15-9-4-5-11-16(15)17/h1-12,19,24H,13H2,(H,25,26)
InChIKeyINXGQZGQVLGBLJ-UHFFFAOYSA-N
XLogP5.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.73
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide?
The IUPAC name of 2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide (CID 4287529) is 2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide?
The canonical SMILES for 2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide is O=C(Cc1ccccc1)NC(Nc1cccc2ccccc12)C(Cl)(Cl)Cl.
What is the InChIKey of 2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide?
The InChIKey is INXGQZGQVLGBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl3N2O/c21-20(22,23)19(25-18(26)13-14-7-2-1-3-8-14)24-17-12-6-10-15-9-4-5-11-16(15)17/h1-12,19,24H,13H2,(H,25,26).
What are the key properties of 2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide?
2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide has a molecular weight of 407.73 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylamino)ethyl]acetamide is sourced from PubChem (CID 4287529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).