2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

C18H14BrN3O2 — CID 49035248

IUPAC2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C18H14BrN3O2/c19-14-6-4-12(5-7-14)10-18(24)20-15-3-1-2-13(11-15)16-8-9-17(23)22-21-16/h1-9,11H,10H2,(H,20,24)(H,22,23)
InChIKeyCQUJNWZPRZFIDY-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.38
Rot. Bonds4

About 2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide

2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 49035248) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID49035248
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C18H14BrN3O2/c19-14-6-4-12(5-7-14)10-18(24)20-15-3-1-2-13(11-15)16-8-9-17(23)22-21-16/h1-9,11H,10H2,(H,20,24)(H,22,23)
InChIKeyCQUJNWZPRZFIDY-UHFFFAOYSA-N
XLogP3.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035283
2-cyclopentyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 51100304
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108811605
4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 108747821
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 49035377
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 49033929
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 167902323
2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359646
N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
CID 46451248
2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108747829

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (CID 49035248) is 2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2ccc(=O)[nH]n2)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is CQUJNWZPRZFIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-14-6-4-12(5-7-14)10-18(24)20-15-3-1-2-13(11-15)16-8-9-17(23)22-21-16/h1-9,11H,10H2,(H,20,24)(H,22,23).
What are the key properties of 2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 384.23 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 49035248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).