N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide

C17H11ClF6N2O3 — CID 46225303

IUPACN-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(CONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF6N2O3/c18-12-1-3-13(4-2-12)25-14(27)8-29-26-15(28)9-5-10(16(19,20)21)7-11(6-9)17(22,23)24/h1-7H,8H2,(H,25,27)(H,26,28)
InChIKeyVILYMJGDZAPWHR-UHFFFAOYSA-N
MW440.73 g/mol
LogP4.68
Rot. Bonds5

About N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide

N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 46225303) has the molecular formula C17H11ClF6N2O3 and a molecular weight of 440.73 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide
PubChem CID46225303
Molecular FormulaC17H11ClF6N2O3
Molecular Weight440.73 g/mol
Exact Mass440.04
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(CONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H11ClF6N2O3/c18-12-1-3-13(4-2-12)25-14(27)8-29-26-15(28)9-5-10(16(19,20)21)7-11(6-9)17(22,23)24/h1-7H,8H2,(H,25,27)(H,26,28)
InChIKeyVILYMJGDZAPWHR-UHFFFAOYSA-N
XLogP4.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.73
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide (CID 46225303) is N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide is O=C(CONC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is VILYMJGDZAPWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF6N2O3/c18-12-1-3-13(4-2-12)25-14(27)8-29-26-15(28)9-5-10(16(19,20)21)7-11(6-9)17(22,23)24/h1-7H,8H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide?
N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 440.73 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethoxy]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 46225303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).