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

C14H15Cl2N3O — CID 19462673

IUPAC2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
SMILESCCn1ccc(C(C)NC(=O)c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-3-19-8-7-12(18-19)9(2)17-14(20)10-5-4-6-11(15)13(10)16/h4-9H,3H2,1-2H3,(H,17,20)
InChIKeyNGDBYHKBDYPRCY-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.70
Rot. Bonds4

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

2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide (PubChem CID 19462673) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
PubChem CID19462673
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
SMILESCCn1ccc(C(C)NC(=O)c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-3-19-8-7-12(18-19)9(2)17-14(20)10-5-4-6-11(15)13(10)16/h4-9H,3H2,1-2H3,(H,17,20)
InChIKeyNGDBYHKBDYPRCY-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

1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 19474462
2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415098
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19462609
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide
CID 19543902
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide
CID 19554061
N-[1-(1-ethylpyrazol-3-yl)ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522974
N-[(1S)-1-(1-ethylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51392266
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821707
4-[(2,6-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462655
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 19462670
4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 19476841

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide (CID 19462673) is 2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide is CCn1ccc(C(C)NC(=O)c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is NGDBYHKBDYPRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-3-19-8-7-12(18-19)9(2)17-14(20)10-5-4-6-11(15)13(10)16/h4-9H,3H2,1-2H3,(H,17,20).
What are the key properties of 2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide?
2,3-dichloro-N-[1-(1-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-(1-ethylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 19462673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).