5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide

C19H16BrN3O3 — CID 136961162

IUPAC5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(Br)ccc3O)c2)n1
InChIInChI=1S/C19H16BrN3O3/c1-2-13-10-17(25)23-18(21-13)11-4-3-5-14(8-11)22-19(26)15-9-12(20)6-7-16(15)24/h3-10,24H,2H2,1H3,(H,22,26)(H,21,23,25)
InChIKeyRFAVYQJUDWMWDC-UHFFFAOYSA-N
MW414.26 g/mol
LogP3.72
Rot. Bonds4

About 5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide

5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide (PubChem CID 136961162) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is 5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide
PubChem CID136961162
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC Name5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(Br)ccc3O)c2)n1
InChIInChI=1S/C19H16BrN3O3/c1-2-13-10-17(25)23-18(21-13)11-4-3-5-14(8-11)22-19(26)15-9-12(20)6-7-16(15)24/h3-10,24H,2H2,1H3,(H,22,26)(H,21,23,25)
InChIKeyRFAVYQJUDWMWDC-UHFFFAOYSA-N
XLogP3.72
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 146083065
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 137028897
4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide
CID 137045988
1-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 137094564
(2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 137028911
N-[(2S)-1-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 135994918
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 136963160
3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 137028902
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 137094562
(E)-3-(4-acetamidophenyl)-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]prop-2-enamide
CID 137315075
(2S)-2-amino-N-[2-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)anilino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 137050019
2-[1-[2-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 137160874

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide (CID 136961162) is 5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide is CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(Br)ccc3O)c2)n1.
What is the InChIKey of 5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide?
The InChIKey is RFAVYQJUDWMWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c1-2-13-10-17(25)23-18(21-13)11-4-3-5-14(8-11)22-19(26)15-9-12(20)6-7-16(15)24/h3-10,24H,2H2,1H3,(H,22,26)(H,21,23,25).
What are the key properties of 5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide?
5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide has a molecular weight of 414.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 136961162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).