N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide

C17H15BrClFN2O3 — CID 108558645

IUPACN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Br)o2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H15BrClFN2O3/c18-14-5-4-13(25-14)17(24)22-8-6-10(7-9-22)21-16(23)15-11(19)2-1-3-12(15)20/h1-5,10H,6-9H2,(H,21,23)
InChIKeyBCBYGGSTONIVGY-UHFFFAOYSA-N
MW429.67 g/mol
LogP3.87
Rot. Bonds3

About N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide

N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide (PubChem CID 108558645) has the molecular formula C17H15BrClFN2O3 and a molecular weight of 429.67 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide
PubChem CID108558645
Molecular FormulaC17H15BrClFN2O3
Molecular Weight429.67 g/mol
Exact Mass427.99
IUPAC NameN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Br)o2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H15BrClFN2O3/c18-14-5-4-13(25-14)17(24)22-8-6-10(7-9-22)21-16(23)15-11(19)2-1-3-12(15)20/h1-5,10H,6-9H2,(H,21,23)
InChIKeyBCBYGGSTONIVGY-UHFFFAOYSA-N
XLogP3.87
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.67
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide
CID 108564551
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide
CID 108558280
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551489
2-chloro-6-fluoro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558620
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558235
2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide
CID 108563078
2,2-dichloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108567322
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 108567325

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide (CID 108558645) is N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide is O=C(NC1CCN(C(=O)c2ccc(Br)o2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide?
The InChIKey is BCBYGGSTONIVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClFN2O3/c18-14-5-4-13(25-14)17(24)22-8-6-10(7-9-22)21-16(23)15-11(19)2-1-3-12(15)20/h1-5,10H,6-9H2,(H,21,23).
What are the key properties of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide?
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide has a molecular weight of 429.67 g/mol, XLogP of 3.87, 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-chloro-6-fluorobenzamide is sourced from PubChem (CID 108558645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).