2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C18H14ClF6N3O2 — CID 42113234

IUPAC2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CNc1ccccc1C(=O)NCC(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H14ClF6N3O2/c19-10-5-6-14(12(7-10)18(23,24)25)28-15(29)8-26-13-4-2-1-3-11(13)16(30)27-9-17(20,21)22/h1-7,26H,8-9H2,(H,27,30)(H,28,29)
InChIKeyPZOSUTJMIVAFIS-UHFFFAOYSA-N
MW453.77 g/mol
LogP4.70
Rot. Bonds6

About 2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 42113234) has the molecular formula C18H14ClF6N3O2 and a molecular weight of 453.77 g/mol. Its IUPAC name is 2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID42113234
Molecular FormulaC18H14ClF6N3O2
Molecular Weight453.77 g/mol
Exact Mass453.07
IUPAC Name2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CNc1ccccc1C(=O)NCC(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H14ClF6N3O2/c19-10-5-6-14(12(7-10)18(23,24)25)28-15(29)8-26-13-4-2-1-3-11(13)16(30)27-9-17(20,21)22/h1-7,26H,8-9H2,(H,27,30)(H,28,29)
InChIKeyPZOSUTJMIVAFIS-UHFFFAOYSA-N
XLogP4.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.77
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 109008379
2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24583375
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 2518054
2-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 38890994
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001024
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001009

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 42113234) is 2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(CNc1ccccc1C(=O)NCC(F)(F)F)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is PZOSUTJMIVAFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF6N3O2/c19-10-5-6-14(12(7-10)18(23,24)25)28-15(29)8-26-13-4-2-1-3-11(13)16(30)27-9-17(20,21)22/h1-7,26H,8-9H2,(H,27,30)(H,28,29).
What are the key properties of 2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 453.77 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 42113234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).