3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide

C20H19ClN4O2 — CID 55504998

IUPAC3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H19ClN4O2/c21-17-6-4-5-16(11-17)20(27)23-13-19(26)22-10-9-15-12-24-25(14-15)18-7-2-1-3-8-18/h1-8,11-12,14H,9-10,13H2,(H,22,26)(H,23,27)
InChIKeyZERPQRFMQJEQJA-UHFFFAOYSA-N
MW382.85 g/mol
LogP2.61
Rot. Bonds7

About 3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide

3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide (PubChem CID 55504998) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
PubChem CID55504998
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H19ClN4O2/c21-17-6-4-5-16(11-17)20(27)23-13-19(26)22-10-9-15-12-24-25(14-15)18-7-2-1-3-8-18/h1-8,11-12,14H,9-10,13H2,(H,22,26)(H,23,27)
InChIKeyZERPQRFMQJEQJA-UHFFFAOYSA-N
XLogP2.61
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111358391
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 78812366
3-chloro-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 78796639
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
2-methyl-1,3-dioxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]isoindole-5-carboxamide
CID 55517644
5-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 55556558

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide (CID 55504998) is 3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide is O=C(CNC(=O)c1cccc(Cl)c1)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide?
The InChIKey is ZERPQRFMQJEQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-17-6-4-5-16(11-17)20(27)23-13-19(26)22-10-9-15-12-24-25(14-15)18-7-2-1-3-8-18/h1-8,11-12,14H,9-10,13H2,(H,22,26)(H,23,27).
What are the key properties of 3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide?
3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide has a molecular weight of 382.85 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 55504998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).