4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide

C19H22ClN5O3 — CID 9153351

IUPAC4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
SMILESCc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C19H22ClN5O3/c1-11-18(12(2)24(3)23-11)22-16(26)10-21-19(28)14-7-6-13(20)9-15(14)25-8-4-5-17(25)27/h6-7,9H,4-5,8,10H2,1-3H3,(H,21,28)(H,22,26)
InChIKeyVDLHYZRTGMTHOZ-UHFFFAOYSA-N
MW403.87 g/mol
LogP2.19
Rot. Bonds5

About 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide

4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide (PubChem CID 9153351) has the molecular formula C19H22ClN5O3 and a molecular weight of 403.87 g/mol. Its IUPAC name is 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
PubChem CID9153351
Molecular FormulaC19H22ClN5O3
Molecular Weight403.87 g/mol
Exact Mass403.14
IUPAC Name4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide
SMILESCc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C19H22ClN5O3/c1-11-18(12(2)24(3)23-11)22-16(26)10-21-19(28)14-7-6-13(20)9-15(14)25-8-4-5-17(25)27/h6-7,9H,4-5,8,10H2,1-3H3,(H,21,28)(H,22,26)
InChIKeyVDLHYZRTGMTHOZ-UHFFFAOYSA-N
XLogP2.19
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide?
The IUPAC name of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide (CID 9153351) is 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide is Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide?
The InChIKey is VDLHYZRTGMTHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O3/c1-11-18(12(2)24(3)23-11)22-16(26)10-21-19(28)14-7-6-13(20)9-15(14)25-8-4-5-17(25)27/h6-7,9H,4-5,8,10H2,1-3H3,(H,21,28)(H,22,26).
What are the key properties of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide?
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide has a molecular weight of 403.87 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 9153351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).