N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide

C17H16ClN3O2 — CID 2937733

IUPACN-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2C(=O)NNC2c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClN3O2/c1-10-3-2-4-12(9-10)16(22)19-15-14(20-21-17(15)23)11-5-7-13(18)8-6-11/h2-9,14-15,20H,1H3,(H,19,22)(H,21,23)
InChIKeyDKVMDBSQBOIJMP-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.12
Rot. Bonds3

About N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide

N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide (PubChem CID 2937733) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide
PubChem CID2937733
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2C(=O)NNC2c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClN3O2/c1-10-3-2-4-12(9-10)16(22)19-15-14(20-21-17(15)23)11-5-7-13(18)8-6-11/h2-9,14-15,20H,1H3,(H,19,22)(H,21,23)
InChIKeyDKVMDBSQBOIJMP-UHFFFAOYSA-N
XLogP2.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide (CID 2937733) is N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC2C(=O)NNC2c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide?
The InChIKey is DKVMDBSQBOIJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-3-2-4-12(9-10)16(22)19-15-14(20-21-17(15)23)11-5-7-13(18)8-6-11/h2-9,14-15,20H,1H3,(H,19,22)(H,21,23).
What are the key properties of N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide?
N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide has a molecular weight of 329.79 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 2937733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).