3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide

C16H17BrN2O2 — CID 110607078

IUPAC3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCc2cccnc2)cc1Br
InChIInChI=1S/C16H17BrN2O2/c1-21-15-7-6-13(10-14(15)17)16(20)19-9-3-5-12-4-2-8-18-11-12/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,19,20)
InChIKeyVFQLBXVNDNGPGI-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.22
Rot. Bonds6

About 3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide

3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide (PubChem CID 110607078) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
PubChem CID110607078
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCc2cccnc2)cc1Br
InChIInChI=1S/C16H17BrN2O2/c1-21-15-7-6-13(10-14(15)17)16(20)19-9-3-5-12-4-2-8-18-11-12/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,19,20)
InChIKeyVFQLBXVNDNGPGI-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
4-(3,4-dimethoxyphenyl)-3-ethyl-N-(4-pyridin-3-ylbutyl)benzamide
CID 19858010
3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
CID 61033584
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
3-butyl-4-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)benzamide
CID 14570110
3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 27838766
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide (CID 110607078) is 3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide is COc1ccc(C(=O)NCCCc2cccnc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide?
The InChIKey is VFQLBXVNDNGPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-15-7-6-13(10-14(15)17)16(20)19-9-3-5-12-4-2-8-18-11-12/h2,4,6-8,10-11H,3,5,9H2,1H3,(H,19,20).
What are the key properties of 3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide?
3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide has a molecular weight of 349.23 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide is sourced from PubChem (CID 110607078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).