N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C34H35F3N4O2 — CID 58741392

IUPACN-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCNC(=O)C(c1ccccc1)N(C)CCN(C)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C34H35F3N4O2/c1-4-38-33(43)31(25-10-6-5-7-11-25)41(3)23-22-40(2)28-20-18-27(19-21-28)39-32(42)30-13-9-8-12-29(30)24-14-16-26(17-15-24)34(35,36)37/h5-21,31H,4,22-23H2,1-3H3,(H,38,43)(H,39,42)
InChIKeyUDFIJARDPMRRIG-UHFFFAOYSA-N
MW588.67 g/mol
LogP6.87
Rot. Bonds11

About N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 58741392) has the molecular formula C34H35F3N4O2 and a molecular weight of 588.67 g/mol. Its IUPAC name is N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID58741392
Molecular FormulaC34H35F3N4O2
Molecular Weight588.67 g/mol
Exact Mass588.27
IUPAC NameN-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCNC(=O)C(c1ccccc1)N(C)CCN(C)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C34H35F3N4O2/c1-4-38-33(43)31(25-10-6-5-7-11-25)41(3)23-22-40(2)28-20-18-27(19-21-28)39-32(42)30-13-9-8-12-29(30)24-14-16-26(17-15-24)34(35,36)37/h5-21,31H,4,22-23H2,1-3H3,(H,38,43)(H,39,42)
InChIKeyUDFIJARDPMRRIG-UHFFFAOYSA-N
XLogP6.87
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

propyl 2-[methyl-[2-[N-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]anilino]ethyl]amino]-2-phenylacetate
CID 58741396
N-[3-(N-methylanilino)propyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 44758028
N-[4-[3-[[2-(ethylamino)-2-oxo-1-phenylethyl]amino]pyrrolidin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58741445
ethyl 2-[methyl-[1-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidin-4-yl]amino]-2-phenylacetate
CID 58741368
N-[4-[[[2-(pentanoylamino)-2-phenylacetyl]amino]methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 91347044
N-[4-[1-[2-[2-(dimethylamino)ethylamino]-2-oxo-1-phenylethyl]piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59128021
N-[4-[[1-[2-oxo-1-phenyl-2-(propylamino)ethyl]pyrrolidin-3-yl]amino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58741414
2-[4-(1,1-difluoroethyl)phenyl]-N-[4-[1-[2-(ethylamino)-2-oxo-1-phenylethyl]piperidin-4-yl]phenyl]benzamide
CID 20773831
N-[4-(2-aminoethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 149266248
diethyl-[2-[[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 2105849
N-[4-[1-[2-(2-aminoethylamino)-2-oxo-1-phenylethyl]piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59127990
N-[4-[1-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58787312

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 58741392) is N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is CCNC(=O)C(c1ccccc1)N(C)CCN(C)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UDFIJARDPMRRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F3N4O2/c1-4-38-33(43)31(25-10-6-5-7-11-25)41(3)23-22-40(2)28-20-18-27(19-21-28)39-32(42)30-13-9-8-12-29(30)24-14-16-26(17-15-24)34(35,36)37/h5-21,31H,4,22-23H2,1-3H3,(H,38,43)(H,39,42).
What are the key properties of N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 588.67 g/mol, XLogP of 6.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[2-(ethylamino)-2-oxo-1-phenylethyl]-methylamino]ethyl-methylamino]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58741392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).