5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide

C23H20BrFN2O2S — CID 46467777

IUPAC5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C23H20BrFN2O2S/c24-16-7-5-15(6-8-16)20-9-10-21(30-20)22(28)26-17-11-13-27(14-12-17)23(29)18-3-1-2-4-19(18)25/h1-10,17H,11-14H2,(H,26,28)
InChIKeyADZGLIZZOTVZRO-UHFFFAOYSA-N
MW487.39 g/mol
LogP5.35
Rot. Bonds4

About 5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide

5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 46467777) has the molecular formula C23H20BrFN2O2S and a molecular weight of 487.39 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID46467777
Molecular FormulaC23H20BrFN2O2S
Molecular Weight487.39 g/mol
Exact Mass486.04
IUPAC Name5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C23H20BrFN2O2S/c24-16-7-5-15(6-8-16)20-9-10-21(30-20)22(28)26-17-11-13-27(14-12-17)23(29)18-3-1-2-4-19(18)25/h1-10,17H,11-14H2,(H,26,28)
InChIKeyADZGLIZZOTVZRO-UHFFFAOYSA-N
XLogP5.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.39
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563627
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
2-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-(trifluoromethyl)benzamide
CID 166358082
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779
4-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 166220491
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551354

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide (CID 46467777) is 5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1ccc(-c2ccc(Br)cc2)s1.
What is the InChIKey of 5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is ADZGLIZZOTVZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrFN2O2S/c24-16-7-5-15(6-8-16)20-9-10-21(30-20)22(28)26-17-11-13-27(14-12-17)23(29)18-3-1-2-4-19(18)25/h1-10,17H,11-14H2,(H,26,28).
What are the key properties of 5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide?
5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 487.39 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46467777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).