2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide

C15H19ClN2O3 — CID 3411281

IUPAC2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NCC1CCCO1
InChIInChI=1S/C15H19ClN2O3/c16-13-6-2-1-5-12(13)15(20)17-8-7-14(19)18-10-11-4-3-9-21-11/h1-2,5-6,11H,3-4,7-10H2,(H,17,20)(H,18,19)
InChIKeyYRZCDUOBBSHPBA-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.76
Rot. Bonds6

About 2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide

2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide (PubChem CID 3411281) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide
PubChem CID3411281
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NCC1CCCO1
InChIInChI=1S/C15H19ClN2O3/c16-13-6-2-1-5-12(13)15(20)17-8-7-14(19)18-10-11-4-3-9-21-11/h1-2,5-6,11H,3-4,7-10H2,(H,17,20)(H,18,19)
InChIKeyYRZCDUOBBSHPBA-UHFFFAOYSA-N
XLogP1.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide (CID 3411281) is 2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)NCC1CCCO1.
What is the InChIKey of 2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide?
The InChIKey is YRZCDUOBBSHPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-13-6-2-1-5-12(13)15(20)17-8-7-14(19)18-10-11-4-3-9-21-11/h1-2,5-6,11H,3-4,7-10H2,(H,17,20)(H,18,19).
What are the key properties of 2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide?
2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide has a molecular weight of 310.78 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 3411281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).