2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide

C20H19F3N2O2 — CID 108556830

IUPAC2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C20H19F3N2O2/c1-12-4-2-3-5-14(12)20(27)25-10-8-13(9-11-25)24-19(26)15-6-7-16(21)18(23)17(15)22/h2-7,13H,8-11H2,1H3,(H,24,26)
InChIKeyVVNSDCQQUNHJGZ-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.45
Rot. Bonds3

About 2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide

2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 108556830) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
PubChem CID108556830
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C20H19F3N2O2/c1-12-4-2-3-5-14(12)20(27)25-10-8-13(9-11-25)24-19(26)15-6-7-16(21)18(23)17(15)22/h2-7,13H,8-11H2,1H3,(H,24,26)
InChIKeyVVNSDCQQUNHJGZ-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556755
2-chloro-N-[1-(2,3,4-trifluorobenzoyl)piperidin-4-yl]propanamide
CID 108566670
2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566977
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide
CID 110822364
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
CID 39510378

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide (CID 108556830) is 2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide is Cc1ccccc1C(=O)N1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is VVNSDCQQUNHJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-12-4-2-3-5-14(12)20(27)25-10-8-13(9-11-25)24-19(26)15-6-7-16(21)18(23)17(15)22/h2-7,13H,8-11H2,1H3,(H,24,26).
What are the key properties of 2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide?
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 376.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108556830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).