2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide

C14H20BrN3O — CID 79723555

IUPAC2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C14H20BrN3O/c15-11-4-5-12(13(16)10-11)14(19)17-6-9-18-7-2-1-3-8-18/h4-5,10H,1-3,6-9,16H2,(H,17,19)
InChIKeyHCFBKJOLFXIVKF-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.25
Rot. Bonds4

About 2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide

2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 79723555) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID79723555
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)NCCN1CCCCC1
InChIInChI=1S/C14H20BrN3O/c15-11-4-5-12(13(16)10-11)14(19)17-6-9-18-7-2-1-3-8-18/h4-5,10H,1-3,6-9,16H2,(H,17,19)
InChIKeyHCFBKJOLFXIVKF-UHFFFAOYSA-N
XLogP2.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.25
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

2-amino-4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79713946
5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342
N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
CID 103763914
2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
CID 61241340
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2-amino-N-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
CID 21428879
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 113219048
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide (CID 79723555) is 2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide is Nc1cc(Br)ccc1C(=O)NCCN1CCCCC1.
What is the InChIKey of 2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is HCFBKJOLFXIVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c15-11-4-5-12(13(16)10-11)14(19)17-6-9-18-7-2-1-3-8-18/h4-5,10H,1-3,6-9,16H2,(H,17,19).
What are the key properties of 2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide?
2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 326.24 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 79723555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).