N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

C22H26F3N3O2 — CID 142242776

IUPACN-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCCc1cccc(CNCCCNC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H26F3N3O2/c1-2-16-5-3-6-17(13-16)14-26-11-4-12-27-20(29)15-28-21(30)18-7-9-19(10-8-18)22(23,24)25/h3,5-10,13,26H,2,4,11-12,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyZLEGTAORAQGOEI-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.29
Rot. Bonds10

About N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 142242776) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID142242776
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC NameN-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCCc1cccc(CNCCCNC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H26F3N3O2/c1-2-16-5-3-6-17(13-16)14-26-11-4-12-27-20(29)15-28-21(30)18-7-9-19(10-8-18)22(23,24)25/h3,5-10,13,26H,2,4,11-12,14-15H2,1H3,(H,27,29)(H,28,30)
InChIKeyZLEGTAORAQGOEI-UHFFFAOYSA-N
XLogP3.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide
CID 142242535
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide
CID 142205419
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
CID 142242395
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546139
N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119503351
N-[2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86891478
N-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 8749593
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
4-tert-butyl-N-[2-[[(3S)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 58966657
2-(3-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 123188980

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 142242776) is N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is CCc1cccc(CNCCCNC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZLEGTAORAQGOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-2-16-5-3-6-17(13-16)14-26-11-4-12-27-20(29)15-28-21(30)18-7-9-19(10-8-18)22(23,24)25/h3,5-10,13,26H,2,4,11-12,14-15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 421.46 g/mol, XLogP of 3.29, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 142242776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).