2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide

C14H14ClN3O2 — CID 74232262

IUPAC2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide
SMILESCC(C)Oc1ccc(-c2ccc(C(N)=O)c(Cl)c2)nn1
InChIInChI=1S/C14H14ClN3O2/c1-8(2)20-13-6-5-12(17-18-13)9-3-4-10(14(16)19)11(15)7-9/h3-8H,1-2H3,(H2,16,19)
InChIKeyJEYQOEZVNJFVEO-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.68
Rot. Bonds4

About 2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide

2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide (PubChem CID 74232262) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide
PubChem CID74232262
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide
SMILESCC(C)Oc1ccc(-c2ccc(C(N)=O)c(Cl)c2)nn1
InChIInChI=1S/C14H14ClN3O2/c1-8(2)20-13-6-5-12(17-18-13)9-3-4-10(14(16)19)11(15)7-9/h3-8H,1-2H3,(H2,16,19)
InChIKeyJEYQOEZVNJFVEO-UHFFFAOYSA-N
XLogP2.68
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-6-methoxypyridazine
CID 12833133
2-chloro-4-(4-methoxyphenyl)benzamide
CID 23360610
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid
CID 121254066
2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
CID 86618835
1-[2-chloro-4-(4-propan-2-ylphenyl)phenyl]ethanone
CID 82771006
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
2-amino-3-chloro-4-propan-2-yloxybenzamide
CID 67278409
2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid
CID 139519387
4-amino-2-propan-2-yloxybenzamide
CID 53495725
methyl 4-carbamoyl-3-chlorobenzoate
CID 171338558

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide?
The IUPAC name of 2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide (CID 74232262) is 2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide?
The canonical SMILES for 2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide is CC(C)Oc1ccc(-c2ccc(C(N)=O)c(Cl)c2)nn1.
What is the InChIKey of 2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide?
The InChIKey is JEYQOEZVNJFVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8(2)20-13-6-5-12(17-18-13)9-3-4-10(14(16)19)11(15)7-9/h3-8H,1-2H3,(H2,16,19).
What are the key properties of 2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide?
2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide has a molecular weight of 291.74 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-propan-2-yloxypyridazin-3-yl)benzamide is sourced from PubChem (CID 74232262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).