N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C28H25F3N2O3 — CID 142276825

IUPACN-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=CCc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C28H25F3N2O3/c29-28(30,31)21-11-9-20(10-12-21)22-6-2-3-7-23(22)26(35)32-25-13-8-19(14-17-34)18-24(25)27(36)33-15-4-1-5-16-33/h2-3,6-13,17-18H,1,4-5,14-16H2,(H,32,35)
InChIKeyYCRJNLDEEPXGPI-UHFFFAOYSA-N
MW494.51 g/mol
LogP5.99
Rot. Bonds6

About N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 142276825) has the molecular formula C28H25F3N2O3 and a molecular weight of 494.51 g/mol. Its IUPAC name is N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID142276825
Molecular FormulaC28H25F3N2O3
Molecular Weight494.51 g/mol
Exact Mass494.18
IUPAC NameN-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=CCc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C28H25F3N2O3/c29-28(30,31)21-11-9-20(10-12-21)22-6-2-3-7-23(22)26(35)32-25-13-8-19(14-17-34)18-24(25)27(36)33-15-4-1-5-16-33/h2-3,6-13,17-18H,1,4-5,14-16H2,(H,32,35)
InChIKeyYCRJNLDEEPXGPI-UHFFFAOYSA-N
XLogP5.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.51
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 24657539
2-[3-hydroxy-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 23130330
diethyl 2-[2-oxo-3-[4-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]-3-(pyrrolidine-1-carbonyl)phenyl]propyl]-2-phenylpropanedioate
CID 174527063
2-[3-(diethylcarbamoyl)-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 90719564
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
[3-(ethylamino)-2-(ethylcarbamoyl)-3-oxo-2-phenylpropyl] 2-[3-pyrrolidin-1-yl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetate
CID 23641309
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46616223
2-[3-propan-2-yloxy-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetic acid
CID 91312741
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
2-[[2-[3-(methoxymethylcarbamoyl)-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]acetyl]oxymethyl]-2-phenylpropanedioic acid
CID 152595957
N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide
CID 86623593
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 142276825) is N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is O=CCc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YCRJNLDEEPXGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O3/c29-28(30,31)21-11-9-20(10-12-21)22-6-2-3-7-23(22)26(35)32-25-13-8-19(14-17-34)18-24(25)27(36)33-15-4-1-5-16-33/h2-3,6-13,17-18H,1,4-5,14-16H2,(H,32,35).
What are the key properties of N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 494.51 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxoethyl)-2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 142276825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).