2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide

C17H15ClF3N3O3 — CID 55917443

IUPAC2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C17H15ClF3N3O3/c1-22-16(26)13-7-4-11(8-14(13)18)23-9-15(25)24-10-2-5-12(6-3-10)27-17(19,20)21/h2-8,23H,9H2,1H3,(H,22,26)(H,24,25)
InChIKeyBFRCXYPCBGWFQK-UHFFFAOYSA-N
MW401.77 g/mol
LogP3.65
Rot. Bonds6

About 2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide

2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide (PubChem CID 55917443) has the molecular formula C17H15ClF3N3O3 and a molecular weight of 401.77 g/mol. Its IUPAC name is 2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide
PubChem CID55917443
Molecular FormulaC17H15ClF3N3O3
Molecular Weight401.77 g/mol
Exact Mass401.08
IUPAC Name2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C17H15ClF3N3O3/c1-22-16(26)13-7-4-11(8-14(13)18)23-9-15(25)24-10-2-5-12(6-3-10)27-17(19,20)21/h2-8,23H,9H2,1H3,(H,22,26)(H,24,25)
InChIKeyBFRCXYPCBGWFQK-UHFFFAOYSA-N
XLogP3.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.77
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-acetylanilino)-2-oxoethyl]amino]-2-chloro-N-methylbenzamide
CID 52704961
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
N-(3-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]acetamide
CID 46571844
2-(5-chloro-2-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26506775
2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide
CID 47064308
N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31774526
3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9442489
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 60539304
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
2-(2-hydroxyethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71628791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of 2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide (CID 55917443) is 2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide is CNC(=O)c1ccc(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is BFRCXYPCBGWFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O3/c1-22-16(26)13-7-4-11(8-14(13)18)23-9-15(25)24-10-2-5-12(6-3-10)27-17(19,20)21/h2-8,23H,9H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide?
2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide has a molecular weight of 401.77 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 55917443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).