N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide

C15H12ClF3N2O2 — CID 46571844

IUPACN-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide
SMILESO=C(CNc1ccc(OC(F)(F)F)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClF3N2O2/c16-10-2-1-3-12(8-10)21-14(22)9-20-11-4-6-13(7-5-11)23-15(17,18)19/h1-8,20H,9H2,(H,21,22)
InChIKeySWUBZPUFPAQMNG-UHFFFAOYSA-N
MW344.72 g/mol
LogP4.29
Rot. Bonds5

About N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide

N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide (PubChem CID 46571844) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide
PubChem CID46571844
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC NameN-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide
SMILESO=C(CNc1ccc(OC(F)(F)F)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClF3N2O2/c16-10-2-1-3-12(8-10)21-14(22)9-20-11-4-6-13(7-5-11)23-15(17,18)19/h1-8,20H,9H2,(H,21,22)
InChIKeySWUBZPUFPAQMNG-UHFFFAOYSA-N
XLogP4.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 54.29
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

2-[4-[2-(3-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164778
3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9442489
1-(3-chlorophenyl)-3-[4-(trifluoromethoxy)anilino]urea
CID 46672807
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694
3-chloro-N-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]benzamide
CID 38033870
2-(5-chloro-2-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26506775
N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31774526
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide
CID 55917443
2-(4-bromo-3-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 107619813

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide (CID 46571844) is N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide is O=C(CNc1ccc(OC(F)(F)F)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide?
The InChIKey is SWUBZPUFPAQMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-10-2-1-3-12(8-10)21-14(22)9-20-11-4-6-13(7-5-11)23-15(17,18)19/h1-8,20H,9H2,(H,21,22).
What are the key properties of N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide?
N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide has a molecular weight of 344.72 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 46571844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).