1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone

C20H16BrNO2 — CID 158421161

IUPAC1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C20H16BrNO2/c21-16-9-10-20(24-14-15-6-2-1-3-7-15)18(12-16)19(23)13-17-8-4-5-11-22-17/h1-12H,13-14H2
InChIKeyHAMUSFBGRGSPNP-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.85
Rot. Bonds6

About 1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone

1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone (PubChem CID 158421161) has the molecular formula C20H16BrNO2 and a molecular weight of 382.26 g/mol. Its IUPAC name is 1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone
PubChem CID158421161
Molecular FormulaC20H16BrNO2
Molecular Weight382.26 g/mol
Exact Mass381.04
IUPAC Name1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C20H16BrNO2/c21-16-9-10-20(24-14-15-6-2-1-3-7-15)18(12-16)19(23)13-17-8-4-5-11-22-17/h1-12H,13-14H2
InChIKeyHAMUSFBGRGSPNP-UHFFFAOYSA-N
XLogP4.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid
CID 28981361
1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone
CID 161238238
1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone
CID 157394263
5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 62074818
1-(5-fluoro-2-methoxyphenyl)-2-pyridin-2-ylethanone
CID 82769914
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
5-bromo-2-[(3-bromophenyl)methoxy]benzamide
CID 91683518
methyl 5-bromo-2-(2-oxo-3-pyridin-2-ylpropyl)benzoate
CID 147212369
5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17094328
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
5-bromo-2-(furan-3-ylmethoxy)benzoic acid
CID 107729545

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone (CID 158421161) is 1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone?
The InChIKey is HAMUSFBGRGSPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO2/c21-16-9-10-20(24-14-15-6-2-1-3-7-15)18(12-16)19(23)13-17-8-4-5-11-22-17/h1-12H,13-14H2.
What are the key properties of 1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone?
1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone has a molecular weight of 382.26 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 158421161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).