3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide

C22H20BrN3O3 — CID 60622603

IUPAC3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide
SMILESO=C(NCCCNC(=O)c1cccc(Br)c1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C22H20BrN3O3/c23-18-5-1-4-17(14-18)22(28)26-13-3-12-25-21(27)16-7-9-19(10-8-16)29-20-6-2-11-24-15-20/h1-2,4-11,14-15H,3,12-13H2,(H,25,27)(H,26,28)
InChIKeyQALDETBXBAOXSD-UHFFFAOYSA-N
MW454.32 g/mol
LogP4.19
Rot. Bonds8

About 3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide

3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide (PubChem CID 60622603) has the molecular formula C22H20BrN3O3 and a molecular weight of 454.32 g/mol. Its IUPAC name is 3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide
PubChem CID60622603
Molecular FormulaC22H20BrN3O3
Molecular Weight454.32 g/mol
Exact Mass453.07
IUPAC Name3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide
SMILESO=C(NCCCNC(=O)c1cccc(Br)c1)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C22H20BrN3O3/c23-18-5-1-4-17(14-18)22(28)26-13-3-12-25-21(27)16-7-9-19(10-8-16)29-20-6-2-11-24-15-20/h1-2,4-11,14-15H,3,12-13H2,(H,25,27)(H,26,28)
InChIKeyQALDETBXBAOXSD-UHFFFAOYSA-N
XLogP4.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide
CID 143062034
3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide
CID 58858303
N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 56545663
N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119429876
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide
CID 52834353
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide
CID 60622543
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
3-bromo-N-dodecylbenzamide
CID 603918
[4-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537544

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide?
The IUPAC name of 3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide (CID 60622603) is 3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide is O=C(NCCCNC(=O)c1cccc(Br)c1)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide?
The InChIKey is QALDETBXBAOXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O3/c23-18-5-1-4-17(14-18)22(28)26-13-3-12-25-21(27)16-7-9-19(10-8-16)29-20-6-2-11-24-15-20/h1-2,4-11,14-15H,3,12-13H2,(H,25,27)(H,26,28).
What are the key properties of 3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide?
3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide has a molecular weight of 454.32 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide is sourced from PubChem (CID 60622603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).