3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide

C19H20BrClN2O2 — CID 3922164

IUPAC3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1Br
InChIInChI=1S/C19H20BrClN2O2/c1-25-18-8-5-13(11-15(18)20)19(24)22-14-6-7-17(16(21)12-14)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)
InChIKeyRUWJXOYFZKQJQM-UHFFFAOYSA-N
MW423.74 g/mol
LogP5.35
Rot. Bonds4

About 3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide

3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide (PubChem CID 3922164) has the molecular formula C19H20BrClN2O2 and a molecular weight of 423.74 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide
PubChem CID3922164
Molecular FormulaC19H20BrClN2O2
Molecular Weight423.74 g/mol
Exact Mass422.04
IUPAC Name3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1Br
InChIInChI=1S/C19H20BrClN2O2/c1-25-18-8-5-13(11-15(18)20)19(24)22-14-6-7-17(16(21)12-14)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)
InChIKeyRUWJXOYFZKQJQM-UHFFFAOYSA-N
XLogP5.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.74
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-methoxybenzamide
CID 17358296
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzamide
CID 833887
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
3-bromo-N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-4-methoxybenzamide
CID 17376506
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
3-bromo-N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-4-ethoxybenzamide
CID 17117952
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676528
3-bromo-N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-4-ethoxybenzamide
CID 3947551
N-[3-(azepane-1-carbonyl)phenyl]-3-bromo-4-methoxybenzamide
CID 26159299
N-[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]-3,4-dimethoxybenzamide
CID 3161523
3-chloro-N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methoxybenzamide
CID 7679043
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide (CID 3922164) is 3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1Br.
What is the InChIKey of 3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide?
The InChIKey is RUWJXOYFZKQJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O2/c1-25-18-8-5-13(11-15(18)20)19(24)22-14-6-7-17(16(21)12-14)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24).
What are the key properties of 3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide?
3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide has a molecular weight of 423.74 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 3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 3922164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).