N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide

C24H22F3N3O2 — CID 54837317

IUPACN-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)18-8-4-10-20(14-18)30-23(32)16-28-19-9-5-11-21(15-19)29-22(31)13-12-17-6-2-1-3-7-17/h1-11,14-15,28H,12-13,16H2,(H,29,31)(H,30,32)
InChIKeyGUCLZNKKABHYCN-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.33
Rot. Bonds8

About N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide

N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54837317) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54837317
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC NameN-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H22F3N3O2/c25-24(26,27)18-8-4-10-20(14-18)30-23(32)16-28-19-9-5-11-21(15-19)29-22(31)13-12-17-6-2-1-3-7-17/h1-11,14-15,28H,12-13,16H2,(H,29,31)(H,30,32)
InChIKeyGUCLZNKKABHYCN-UHFFFAOYSA-N
XLogP5.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
1-(3-phenylpropanoylamino)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 17371957
2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54826954
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844584
3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 1304359
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide (CID 54837317) is N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is GUCLZNKKABHYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c25-24(26,27)18-8-4-10-20(14-18)30-23(32)16-28-19-9-5-11-21(15-19)29-22(31)13-12-17-6-2-1-3-7-17/h1-11,14-15,28H,12-13,16H2,(H,29,31)(H,30,32).
What are the key properties of N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide?
N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 441.45 g/mol, XLogP of 5.33, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54837317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).