N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide

C14H16BrClN2O2 — CID 103841550

IUPACN-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C14H16BrClN2O2/c1-9(19)18-6-4-11(5-7-18)17-14(20)10-2-3-13(16)12(15)8-10/h2-3,8,11H,4-7H2,1H3,(H,17,20)
InChIKeyMMDLTQZEWSOHFR-UHFFFAOYSA-N
MW359.65 g/mol
LogP2.84
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide

N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide (PubChem CID 103841550) has the molecular formula C14H16BrClN2O2 and a molecular weight of 359.65 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
PubChem CID103841550
Molecular FormulaC14H16BrClN2O2
Molecular Weight359.65 g/mol
Exact Mass358.01
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C14H16BrClN2O2/c1-9(19)18-6-4-11(5-7-18)17-14(20)10-2-3-13(16)12(15)8-10/h2-3,8,11H,4-7H2,1H3,(H,17,20)
InChIKeyMMDLTQZEWSOHFR-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.65
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide 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-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide
CID 103706469
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
3-bromo-4-chloro-N-(thian-4-yl)benzamide
CID 103841879
3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide
CID 103842108
3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 103841788
3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
CID 104578392
3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
CID 107989487
N-(1-acetylpiperidin-4-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103611671
3,4-dichloro-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 108559223
1-[4-(4-bromo-2,6-dichloroanilino)piperidin-1-yl]ethanone
CID 43773718
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide (CID 103841550) is N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide is CC(=O)N1CCC(NC(=O)c2ccc(Cl)c(Br)c2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide?
The InChIKey is MMDLTQZEWSOHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2/c1-9(19)18-6-4-11(5-7-18)17-14(20)10-2-3-13(16)12(15)8-10/h2-3,8,11H,4-7H2,1H3,(H,17,20).
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide?
N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide has a molecular weight of 359.65 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide is sourced from PubChem (CID 103841550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).