2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide

C16H18ClF3N2O2 — CID 24819650

IUPAC2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CCCC(C(F)(F)F)C1)c1ccccc1Cl
InChIInChI=1S/C16H18ClF3N2O2/c17-13-6-2-1-5-12(13)15(24)21-8-7-14(23)22-9-3-4-11(10-22)16(18,19)20/h1-2,5-6,11H,3-4,7-10H2,(H,21,24)
InChIKeyRTTKKYKHUCZNSH-UHFFFAOYSA-N
MW362.78 g/mol
LogP3.26
Rot. Bonds4

About 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide

2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide (PubChem CID 24819650) has the molecular formula C16H18ClF3N2O2 and a molecular weight of 362.78 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide
PubChem CID24819650
Molecular FormulaC16H18ClF3N2O2
Molecular Weight362.78 g/mol
Exact Mass362.10
IUPAC Name2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide
SMILESO=C(NCCC(=O)N1CCCC(C(F)(F)F)C1)c1ccccc1Cl
InChIInChI=1S/C16H18ClF3N2O2/c17-13-6-2-1-5-12(13)15(24)21-8-7-14(23)22-9-3-4-11(10-22)16(18,19)20/h1-2,5-6,11H,3-4,7-10H2,(H,21,24)
InChIKeyRTTKKYKHUCZNSH-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 9954540
CID 9954540
CID 347041
CID 347041
CID 692233
CID 692233
CID 44540045
CID 44540045
CID 65659
CID 65659
CID 73442861
CID 73442861
CID 1069892
CID 1069892
CID 1074765
CID 1074765
CID 2060585
CID 2060585
CID 347073
CID 347073
CID 11704260
CID 11704260
CID 25236799
CID 25236799

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide (CID 24819650) is 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide is O=C(NCCC(=O)N1CCCC(C(F)(F)F)C1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide?
The InChIKey is RTTKKYKHUCZNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N2O2/c17-13-6-2-1-5-12(13)15(24)21-8-7-14(23)22-9-3-4-11(10-22)16(18,19)20/h1-2,5-6,11H,3-4,7-10H2,(H,21,24).
What are the key properties of 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide?
2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide has a molecular weight of 362.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 24819650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).