2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide

C17H13ClF6N2O — CID 7922738

IUPAC2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C17H13ClF6N2O/c1-9-2-3-12(7-14(9)18)26-15(27)8-25-13-5-10(16(19,20)21)4-11(6-13)17(22,23)24/h2-7,25H,8H2,1H3,(H,26,27)
InChIKeyURAJSHROAFBBIC-UHFFFAOYSA-N
MW410.75 g/mol
LogP5.74
Rot. Bonds4

About 2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide

2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide (PubChem CID 7922738) has the molecular formula C17H13ClF6N2O and a molecular weight of 410.75 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide
PubChem CID7922738
Molecular FormulaC17H13ClF6N2O
Molecular Weight410.75 g/mol
Exact Mass410.06
IUPAC Name2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C17H13ClF6N2O/c1-9-2-3-12(7-14(9)18)26-15(27)8-25-13-5-10(16(19,20)21)4-11(6-13)17(22,23)24/h2-7,25H,8H2,1H3,(H,26,27)
InChIKeyURAJSHROAFBBIC-UHFFFAOYSA-N
XLogP5.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.75
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969164
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]benzamide
CID 46537886
2-(3-chloro-4-methylanilino)acetohydrazide
CID 865656
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009821
N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109038626
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide (CID 7922738) is 2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide?
The InChIKey is URAJSHROAFBBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF6N2O/c1-9-2-3-12(7-14(9)18)26-15(27)8-25-13-5-10(16(19,20)21)4-11(6-13)17(22,23)24/h2-7,25H,8H2,1H3,(H,26,27).
What are the key properties of 2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide?
2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide has a molecular weight of 410.75 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 7922738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).