N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide

C26H20F3N3O3 — CID 162653073

IUPACN-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cccc3c(NC(=O)Nc4cccc(C(F)(F)F)c4)cccc23)cc1
InChIInChI=1S/C26H20F3N3O3/c1-16(33)30-18-11-13-20(14-12-18)35-24-10-4-7-21-22(24)8-3-9-23(21)32-25(34)31-19-6-2-5-17(15-19)26(27,28)29/h2-15H,1H3,(H,30,33)(H2,31,32,34)
InChIKeyZCMXAYQHMRJMHV-UHFFFAOYSA-N
MW479.46 g/mol
LogP7.25
Rot. Bonds5

About N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide

N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide (PubChem CID 162653073) has the molecular formula C26H20F3N3O3 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide
PubChem CID162653073
Molecular FormulaC26H20F3N3O3
Molecular Weight479.46 g/mol
Exact Mass479.15
IUPAC NameN-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cccc3c(NC(=O)Nc4cccc(C(F)(F)F)c4)cccc23)cc1
InChIInChI=1S/C26H20F3N3O3/c1-16(33)30-18-11-13-20(14-12-18)35-24-10-4-7-21-22(24)8-3-9-23(21)32-25(34)31-19-6-2-5-17(15-19)26(27,28)29/h2-15H,1H3,(H,30,33)(H2,31,32,34)
InChIKeyZCMXAYQHMRJMHV-UHFFFAOYSA-N
XLogP7.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.46
LogP ≤ 57.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide?
The IUPAC name of N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide (CID 162653073) is N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2cccc3c(NC(=O)Nc4cccc(C(F)(F)F)c4)cccc23)cc1.
What is the InChIKey of N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide?
The InChIKey is ZCMXAYQHMRJMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O3/c1-16(33)30-18-11-13-20(14-12-18)35-24-10-4-7-21-22(24)8-3-9-23(21)32-25(34)31-19-6-2-5-17(15-19)26(27,28)29/h2-15H,1H3,(H,30,33)(H2,31,32,34).
What are the key properties of N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide?
N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide has a molecular weight of 479.46 g/mol, XLogP of 7.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]naphthalen-1-yl]oxyphenyl]acetamide is sourced from PubChem (CID 162653073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).