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

C16H13Cl2F3N2O2 — CID 109008828

IUPAC2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C16H13Cl2F3N2O2/c1-25-14-5-3-9(7-13(14)18)22-8-15(24)23-10-2-4-12(17)11(6-10)16(19,20)21/h2-7,22H,8H2,1H3,(H,23,24)
InChIKeyKKTGVWDIUAALKA-UHFFFAOYSA-N
MW393.19 g/mol
LogP5.07
Rot. Bonds5

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

2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 109008828) has the molecular formula C16H13Cl2F3N2O2 and a molecular weight of 393.19 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID109008828
Molecular FormulaC16H13Cl2F3N2O2
Molecular Weight393.19 g/mol
Exact Mass392.03
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C16H13Cl2F3N2O2/c1-25-14-5-3-9(7-13(14)18)22-8-15(24)23-10-2-4-12(17)11(6-10)16(19,20)21/h2-7,22H,8H2,1H3,(H,23,24)
InChIKeyKKTGVWDIUAALKA-UHFFFAOYSA-N
XLogP5.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.19
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 26438641
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4227752
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009821
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
CID 26438653
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2101244
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-ethylphenyl)acetamide
CID 109007711
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 109008828) is 2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is COc1ccc(NCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KKTGVWDIUAALKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O2/c1-25-14-5-3-9(7-13(14)18)22-8-15(24)23-10-2-4-12(17)11(6-10)16(19,20)21/h2-7,22H,8H2,1H3,(H,23,24).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 393.19 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 109008828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).