N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide

C18H17F3N2O3 — CID 39753699

IUPACN-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)26-15-10-8-14(9-11-15)23-16(24)7-4-12-22-17(25)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,22,25)(H,23,24)
InChIKeyHEFLMLNQERQCKT-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.73
Rot. Bonds7

About N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide

N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide (PubChem CID 39753699) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
PubChem CID39753699
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)26-15-10-8-14(9-11-15)23-16(24)7-4-12-22-17(25)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,22,25)(H,23,24)
InChIKeyHEFLMLNQERQCKT-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-benzamidobutanoylamino)benzamide
CID 29374160
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633
4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119262786
methyl 3-(4-benzamidobutanoylamino)benzoate
CID 39769177
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
CID 24636986
4-bromo-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 35184223
2-fluoro-N-[3-[[4-(trifluoromethoxy)phenyl]carbamoylamino]propyl]benzamide
CID 47987463
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 119749170
3-chloro-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9442489
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-benzamido-3-methylbutanoate
CID 55315824

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide?
The IUPAC name of N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide (CID 39753699) is N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide is O=C(CCCNC(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide?
The InChIKey is HEFLMLNQERQCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)26-15-10-8-14(9-11-15)23-16(24)7-4-12-22-17(25)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,22,25)(H,23,24).
What are the key properties of N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide?
N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide has a molecular weight of 366.34 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide is sourced from PubChem (CID 39753699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).