2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide

C14H15Cl2N3O — CID 19415098

IUPAC2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
SMILESCCn1nccc1C(C)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-3-19-12(7-8-17-19)9(2)18-14(20)10-5-4-6-11(15)13(10)16/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyLONOCFBAJIIJFV-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.70
Rot. Bonds4

About 2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide

2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide (PubChem CID 19415098) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
PubChem CID19415098
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
SMILESCCn1nccc1C(C)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-3-19-12(7-8-17-19)9(2)18-14(20)10-5-4-6-11(15)13(10)16/h4-9H,3H2,1-2H3,(H,18,20)
InChIKeyLONOCFBAJIIJFV-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414972
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide
CID 19415003
2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462673
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415071
3-[(4-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414975
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-methylpropanamide
CID 19568700
4-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 51388652
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19415033
4-[(2-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 19503185
2-[(2,3-dichlorobenzoyl)amino]-4-oxohexanoic acid
CID 146153202
N-[1-(2-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583682

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide (CID 19415098) is 2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide is CCn1nccc1C(C)NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is LONOCFBAJIIJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-3-19-12(7-8-17-19)9(2)18-14(20)10-5-4-6-11(15)13(10)16/h4-9H,3H2,1-2H3,(H,18,20).
What are the key properties of 2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide?
2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 312.20 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 19415098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).