N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C22H24ClN5O2 — CID 46446820

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C22H24ClN5O2/c23-18-9-3-1-7-16(18)20(27-12-5-6-13-27)15-24-21(29)11-14-28-22(30)17-8-2-4-10-19(17)25-26-28/h1-4,7-10,20H,5-6,11-15H2,(H,24,29)
InChIKeyDZPNSMWDARTOLC-UHFFFAOYSA-N
MW425.92 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 46446820) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID46446820
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C22H24ClN5O2/c23-18-9-3-1-7-16(18)20(27-12-5-6-13-27)15-24-21(29)11-14-28-22(30)17-8-2-4-10-19(17)25-26-28/h1-4,7-10,20H,5-6,11-15H2,(H,24,29)
InChIKeyDZPNSMWDARTOLC-UHFFFAOYSA-N
XLogP2.79
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 46446820) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is O=C(CCn1nnc2ccccc2c1=O)NCC(c1ccccc1Cl)N1CCCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is DZPNSMWDARTOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c23-18-9-3-1-7-16(18)20(27-12-5-6-13-27)15-24-21(29)11-14-28-22(30)17-8-2-4-10-19(17)25-26-28/h1-4,7-10,20H,5-6,11-15H2,(H,24,29).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 425.92 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 46446820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).