4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide

C28H25F4N3O3 — CID 175177120

IUPAC4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccc(C=O)cc2)CC1
InChIInChI=1S/C28H25F4N3O3/c1-34(26(37)22-11-8-19(29)16-24(22)28(30,31)32)21-12-14-35(15-13-21)27(38)23-4-2-3-5-25(23)33-20-9-6-18(17-36)7-10-20/h2-11,16-17,21,33H,12-15H2,1H3
InChIKeyVJCFZXBPXCGWKB-UHFFFAOYSA-N
MW527.52 g/mol
LogP5.78
Rot. Bonds6

About 4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide

4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 175177120) has the molecular formula C28H25F4N3O3 and a molecular weight of 527.52 g/mol. Its IUPAC name is 4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID175177120
Molecular FormulaC28H25F4N3O3
Molecular Weight527.52 g/mol
Exact Mass527.18
IUPAC Name4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccc(C=O)cc2)CC1
InChIInChI=1S/C28H25F4N3O3/c1-34(26(37)22-11-8-19(29)16-24(22)28(30,31)32)21-12-14-35(15-13-21)27(38)23-4-2-3-5-25(23)33-20-9-6-18(17-36)7-10-20/h2-11,16-17,21,33H,12-15H2,1H3
InChIKeyVJCFZXBPXCGWKB-UHFFFAOYSA-N
XLogP5.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
[2-(4-fluoroanilino)phenyl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30890047
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
tert-butyl 3-[[4-fluoro-2-(trifluoromethyl)benzoyl]-methylamino]azetidine-1-carboxylate
CID 141457664
(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
CID 46472653
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245
N-cyclobutyl-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 113252164
[4-(dimethylamino)piperidin-1-yl]-(2-hydrazinylphenyl)methanone
CID 62243252
(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644674
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
CID 120815399
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]phenyl]methanone;hydrochloride
CID 119545996

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide (CID 175177120) is 4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide is CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is VJCFZXBPXCGWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F4N3O3/c1-34(26(37)22-11-8-19(29)16-24(22)28(30,31)32)21-12-14-35(15-13-21)27(38)23-4-2-3-5-25(23)33-20-9-6-18(17-36)7-10-20/h2-11,16-17,21,33H,12-15H2,1H3.
What are the key properties of 4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide?
4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 527.52 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[2-(4-formylanilino)benzoyl]piperidin-4-yl]-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 175177120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).