N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide

C17H16ClF3N2O — CID 2507102

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide
SMILESCCc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O/c1-2-11-5-3-4-6-15(11)22-10-16(24)23-12-7-8-14(18)13(9-12)17(19,20)21/h3-9,22H,2,10H2,1H3,(H,23,24)
InChIKeyZNOFFEQKHKTFEW-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.97
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide (PubChem CID 2507102) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide
PubChem CID2507102
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide
SMILESCCc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O/c1-2-11-5-3-4-6-15(11)22-10-16(24)23-12-7-8-14(18)13(9-12)17(19,20)21/h3-9,22H,2,10H2,1H3,(H,23,24)
InChIKeyZNOFFEQKHKTFEW-UHFFFAOYSA-N
XLogP4.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide (CID 2507102) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide is CCc1ccccc1NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide?
The InChIKey is ZNOFFEQKHKTFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c1-2-11-5-3-4-6-15(11)22-10-16(24)23-12-7-8-14(18)13(9-12)17(19,20)21/h3-9,22H,2,10H2,1H3,(H,23,24).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide has a molecular weight of 356.78 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-ethylanilino)acetamide is sourced from PubChem (CID 2507102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).