N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide

C21H17BrN2O3 — CID 143062034

IUPACN-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide
SMILESO=C(CCNC(=O)c1ccc(Oc2cccnc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C21H17BrN2O3/c22-17-4-1-3-16(13-17)20(25)10-12-24-21(26)15-6-8-18(9-7-15)27-19-5-2-11-23-14-19/h1-9,11,13-14H,10,12H2,(H,24,26)
InChIKeyPXCYDTFIDPMVBP-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.64
Rot. Bonds7

About N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide

N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide (PubChem CID 143062034) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide
PubChem CID143062034
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC NameN-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide
SMILESO=C(CCNC(=O)c1ccc(Oc2cccnc2)cc1)c1cccc(Br)c1
InChIInChI=1S/C21H17BrN2O3/c22-17-4-1-3-16(13-17)20(25)10-12-24-21(26)15-6-8-18(9-7-15)27-19-5-2-11-23-14-19/h1-9,11,13-14H,10,12H2,(H,24,26)
InChIKeyPXCYDTFIDPMVBP-UHFFFAOYSA-N
XLogP4.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide
CID 60622603
3-bromo-N'-(4-pyridin-3-yloxybenzoyl)benzohydrazide
CID 58858303
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-pyridin-3-yloxybenzamide
CID 52834353
N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 56545663
N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide
CID 143062081
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride
CID 119995380
4-pyridin-3-yloxybenzoic acid
CID 22261667
[4-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537544
4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide
CID 18230701
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide
CID 60549507

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide?
The IUPAC name of N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide (CID 143062034) is N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide is O=C(CCNC(=O)c1ccc(Oc2cccnc2)cc1)c1cccc(Br)c1.
What is the InChIKey of N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide?
The InChIKey is PXCYDTFIDPMVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c22-17-4-1-3-16(13-17)20(25)10-12-24-21(26)15-6-8-18(9-7-15)27-19-5-2-11-23-14-19/h1-9,11,13-14H,10,12H2,(H,24,26).
What are the key properties of N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide?
N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide has a molecular weight of 425.28 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromophenyl)-3-oxopropyl]-4-pyridin-3-yloxybenzamide is sourced from PubChem (CID 143062034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).