4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide

C13H11ClFN3O — CID 90060790

IUPAC4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1ccc(-c2ccc(Cl)nn2)cc1F
InChIInChI=1S/C13H11ClFN3O/c1-2-16-13(19)9-4-3-8(7-10(9)15)11-5-6-12(14)18-17-11/h3-7H,2H2,1H3,(H,16,19)
InChIKeyKBVDMQQRGAQUNO-UHFFFAOYSA-N
MW279.70 g/mol
LogP2.69
Rot. Bonds3

About 4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide

4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide (PubChem CID 90060790) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide
PubChem CID90060790
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1ccc(-c2ccc(Cl)nn2)cc1F
InChIInChI=1S/C13H11ClFN3O/c1-2-16-13(19)9-4-3-8(7-10(9)15)11-5-6-12(14)18-17-11/h3-7H,2H2,1H3,(H,16,19)
InChIKeyKBVDMQQRGAQUNO-UHFFFAOYSA-N
XLogP2.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-fluoro-4-(4-formylphenyl)benzamide
CID 75537237
N-ethyl-2-fluoro-4-(4-oxo-1H-pyridin-2-yl)benzamide
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N-ethyl-2-fluoro-4-propan-2-ylbenzamide
CID 174350418
4-[4-(ethylcarbamoyl)-3-fluorophenyl]-3-fluorobenzoic acid
CID 53228380
3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoate
CID 86307324
4-(3-cyano-4-hydroxyphenyl)-N-ethyl-2-fluorobenzamide
CID 53220202
4-(aminomethyl)-N-ethyl-2-fluorobenzamide
CID 90167372
2-amino-5-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-4-carboxylic acid
CID 53224372
6-chloro-N-ethyl-2-methylpyridine-3-carboxamide
CID 130963544
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 24683116
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
N-[3-(6-chloropyridazin-3-yl)phenyl]propanamide
CID 14280296

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide?
The IUPAC name of 4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide (CID 90060790) is 4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide is CCNC(=O)c1ccc(-c2ccc(Cl)nn2)cc1F.
What is the InChIKey of 4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide?
The InChIKey is KBVDMQQRGAQUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-2-16-13(19)9-4-3-8(7-10(9)15)11-5-6-12(14)18-17-11/h3-7H,2H2,1H3,(H,16,19).
What are the key properties of 4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide?
4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide has a molecular weight of 279.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridazin-3-yl)-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 90060790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).