4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide

C26H22BrF4N3O3 — CID 23072127

IUPAC4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C26H22BrF4N3O3/c27-18-7-4-16(5-8-18)25(37)10-12-34(13-11-25)24(36)33-20-3-1-2-19(15-20)32-23(35)21-14-17(26(29,30)31)6-9-22(21)28/h1-9,14-15,37H,10-13H2,(H,32,35)(H,33,36)
InChIKeyZQXYALJZEHGZNH-UHFFFAOYSA-N
MW580.38 g/mol
LogP6.37
Rot. Bonds4

About 4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide

4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 23072127) has the molecular formula C26H22BrF4N3O3 and a molecular weight of 580.38 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID23072127
Molecular FormulaC26H22BrF4N3O3
Molecular Weight580.38 g/mol
Exact Mass579.08
IUPAC Name4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C26H22BrF4N3O3/c27-18-7-4-16(5-8-18)25(37)10-12-34(13-11-25)24(36)33-20-3-1-2-19(15-20)32-23(35)21-14-17(26(29,30)31)6-9-22(21)28/h1-9,14-15,37H,10-13H2,(H,32,35)(H,33,36)
InChIKeyZQXYALJZEHGZNH-UHFFFAOYSA-N
XLogP6.37
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.38
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide (CID 23072127) is 4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide is O=C(Nc1cccc(NC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is ZQXYALJZEHGZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrF4N3O3/c27-18-7-4-16(5-8-18)25(37)10-12-34(13-11-25)24(36)33-20-3-1-2-19(15-20)32-23(35)21-14-17(26(29,30)31)6-9-22(21)28/h1-9,14-15,37H,10-13H2,(H,32,35)(H,33,36).
What are the key properties of 4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide?
4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 580.38 g/mol, XLogP of 6.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 23072127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).