N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide

C17H15BrCl2N2O3 — CID 108564551

IUPACN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Br)o2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15BrCl2N2O3/c18-15-4-3-14(25-15)17(24)22-7-5-11(6-8-22)21-16(23)12-2-1-10(19)9-13(12)20/h1-4,9,11H,5-8H2,(H,21,23)
InChIKeyBZVNYPSTZGVOAE-UHFFFAOYSA-N
MW446.13 g/mol
LogP4.38
Rot. Bonds3

About N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide

N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide (PubChem CID 108564551) has the molecular formula C17H15BrCl2N2O3 and a molecular weight of 446.13 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide
PubChem CID108564551
Molecular FormulaC17H15BrCl2N2O3
Molecular Weight446.13 g/mol
Exact Mass443.96
IUPAC NameN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Br)o2)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15BrCl2N2O3/c18-15-4-3-14(25-15)17(24)22-7-5-11(6-8-22)21-16(23)12-2-1-10(19)9-13(12)20/h1-4,9,11H,5-8H2,(H,21,23)
InChIKeyBZVNYPSTZGVOAE-UHFFFAOYSA-N
XLogP4.38
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.13
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide
CID 108558645
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551489
2,4-dichloro-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108567215
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide
CID 108558280
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108566500
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550325
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]pentanamide
CID 108555501

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide (CID 108564551) is N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide is O=C(NC1CCN(C(=O)c2ccc(Br)o2)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide?
The InChIKey is BZVNYPSTZGVOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrCl2N2O3/c18-15-4-3-14(25-15)17(24)22-7-5-11(6-8-22)21-16(23)12-2-1-10(19)9-13(12)20/h1-4,9,11H,5-8H2,(H,21,23).
What are the key properties of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide?
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide has a molecular weight of 446.13 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 108564551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).