N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide

C18H19BrClN3O — CID 50881412

IUPACN-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide
SMILESNc1cc(Cl)c(NC(=O)c2ccc(Br)cc2)cc1N1CCCCC1
InChIInChI=1S/C18H19BrClN3O/c19-13-6-4-12(5-7-13)18(24)22-16-11-17(15(21)10-14(16)20)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,21H2,(H,22,24)
InChIKeyUNBXRCKBWGVKJP-UHFFFAOYSA-N
MW408.73 g/mol
LogP4.93
Rot. Bonds3

About N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide

N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide (PubChem CID 50881412) has the molecular formula C18H19BrClN3O and a molecular weight of 408.73 g/mol. Its IUPAC name is N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide
PubChem CID50881412
Molecular FormulaC18H19BrClN3O
Molecular Weight408.73 g/mol
Exact Mass407.04
IUPAC NameN-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide
SMILESNc1cc(Cl)c(NC(=O)c2ccc(Br)cc2)cc1N1CCCCC1
InChIInChI=1S/C18H19BrClN3O/c19-13-6-4-12(5-7-13)18(24)22-16-11-17(15(21)10-14(16)20)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,21H2,(H,22,24)
InChIKeyUNBXRCKBWGVKJP-UHFFFAOYSA-N
XLogP4.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
CID 50881210
N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 50881482
N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-4-tert-butylbenzamide
CID 50881655
N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide
CID 50881563
4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092341
N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 50881129
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-methylbenzamide
CID 50881212
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-tert-butylbenzamide
CID 50881555
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
4-bromo-N-[2-piperidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50777019

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide?
The IUPAC name of N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide (CID 50881412) is N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide.
What is the SMILES notation for N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide?
The canonical SMILES for N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide is Nc1cc(Cl)c(NC(=O)c2ccc(Br)cc2)cc1N1CCCCC1.
What is the InChIKey of N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide?
The InChIKey is UNBXRCKBWGVKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O/c19-13-6-4-12(5-7-13)18(24)22-16-11-17(15(21)10-14(16)20)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,21H2,(H,22,24).
What are the key properties of N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide?
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide has a molecular weight of 408.73 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide is sourced from PubChem (CID 50881412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).