2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide

C22H26ClN3O2 — CID 119648763

IUPAC2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESCNCC1CCCN1C(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H26ClN3O2/c1-24-15-17-10-7-13-26(17)21(27)14-20(16-8-3-2-4-9-16)25-22(28)18-11-5-6-12-19(18)23/h2-6,8-9,11-12,17,20,24H,7,10,13-15H2,1H3,(H,25,28)
InChIKeyKBIDDNMICYCFIE-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.41
Rot. Bonds7

About 2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 119648763) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
PubChem CID119648763
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESCNCC1CCCN1C(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H26ClN3O2/c1-24-15-17-10-7-13-26(17)21(27)14-20(16-8-3-2-4-9-16)25-22(28)18-11-5-6-12-19(18)23/h2-6,8-9,11-12,17,20,24H,7,10,13-15H2,1H3,(H,25,28)
InChIKeyKBIDDNMICYCFIE-UHFFFAOYSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide (CID 119648763) is 2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide is CNCC1CCCN1C(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is KBIDDNMICYCFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-24-15-17-10-7-13-26(17)21(27)14-20(16-8-3-2-4-9-16)25-22(28)18-11-5-6-12-19(18)23/h2-6,8-9,11-12,17,20,24H,7,10,13-15H2,1H3,(H,25,28).
What are the key properties of 2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 399.92 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 119648763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).