N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide

C20H18Cl2N4O2 — CID 9117005

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H18Cl2N4O2/c1-2-25(13-19(27)24-18-12-15(21)6-9-17(18)22)20(28)14-4-7-16(8-5-14)26-11-3-10-23-26/h3-12H,2,13H2,1H3,(H,24,27)
InChIKeyIGBYVIWZDNTEGM-UHFFFAOYSA-N
MW417.30 g/mol
LogP4.28
Rot. Bonds6

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide (PubChem CID 9117005) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide
PubChem CID9117005
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H18Cl2N4O2/c1-2-25(13-19(27)24-18-12-15(21)6-9-17(18)22)20(28)14-4-7-16(8-5-14)26-11-3-10-23-26/h3-12H,2,13H2,1H3,(H,24,27)
InChIKeyIGBYVIWZDNTEGM-UHFFFAOYSA-N
XLogP4.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide (CID 9117005) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide is CCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide?
The InChIKey is IGBYVIWZDNTEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-2-25(13-19(27)24-18-12-15(21)6-9-17(18)22)20(28)14-4-7-16(8-5-14)26-11-3-10-23-26/h3-12H,2,13H2,1H3,(H,24,27).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide has a molecular weight of 417.30 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 9117005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).