1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one

C19H15BrClNO2 — CID 10173044

IUPAC1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccccc2Cl)ccn1Cc1ccccc1
InChIInChI=1S/C19H15BrClNO2/c20-18-17(24-13-15-8-4-5-9-16(15)21)10-11-22(19(18)23)12-14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyKEGYHOIHAFEQQK-UHFFFAOYSA-N
MW404.69 g/mol
LogP4.89
Rot. Bonds5

About 1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one

1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one (PubChem CID 10173044) has the molecular formula C19H15BrClNO2 and a molecular weight of 404.69 g/mol. Its IUPAC name is 1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one
PubChem CID10173044
Molecular FormulaC19H15BrClNO2
Molecular Weight404.69 g/mol
Exact Mass403.00
IUPAC Name1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccccc2Cl)ccn1Cc1ccccc1
InChIInChI=1S/C19H15BrClNO2/c20-18-17(24-13-15-8-4-5-9-16(15)21)10-11-22(19(18)23)12-14-6-2-1-3-7-14/h1-11H,12-13H2
InChIKeyKEGYHOIHAFEQQK-UHFFFAOYSA-N
XLogP4.89
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.69
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one 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

2-[4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetic acid
CID 11441746
3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10287295
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(2-phenylphenyl)methoxy]pyridin-2-one
CID 11259806
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 11476791
4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide
CID 10151181
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(2-phenylphenyl)methyl]pyridin-2-one
CID 11202094
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one
CID 10287556
1-benzyl-3-[2-(4-bromophenyl)ethynyl]-4-phenylmethoxypyridin-2-one
CID 58608142
4-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-2-oxo-1-pyridinyl]methyl]benzamide
CID 11419523
3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
CID 11224847
ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate
CID 143008403
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one (CID 10173044) is 1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one is O=c1c(Br)c(OCc2ccccc2Cl)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one?
The InChIKey is KEGYHOIHAFEQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO2/c20-18-17(24-13-15-8-4-5-9-16(15)21)10-11-22(19(18)23)12-14-6-2-1-3-7-14/h1-11H,12-13H2.
What are the key properties of 1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one?
1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one has a molecular weight of 404.69 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 10173044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).