2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

C19H18F3IN2O — CID 2067749

IUPAC2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1I
InChIInChI=1S/C19H18F3IN2O/c20-19(21,22)13-8-9-17(25-10-4-1-5-11-25)16(12-13)24-18(26)14-6-2-3-7-15(14)23/h2-3,6-9,12H,1,4-5,10-11H2,(H,24,26)
InChIKeyDJRPWJKLIQUVQP-UHFFFAOYSA-N
MW474.26 g/mol
LogP5.55
Rot. Bonds3

About 2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 2067749) has the molecular formula C19H18F3IN2O and a molecular weight of 474.26 g/mol. Its IUPAC name is 2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID2067749
Molecular FormulaC19H18F3IN2O
Molecular Weight474.26 g/mol
Exact Mass474.04
IUPAC Name2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1I
InChIInChI=1S/C19H18F3IN2O/c20-19(21,22)13-8-9-17(25-10-4-1-5-11-25)16(12-13)24-18(26)14-6-2-3-7-15(14)23/h2-3,6-9,12H,1,4-5,10-11H2,(H,24,26)
InChIKeyDJRPWJKLIQUVQP-UHFFFAOYSA-N
XLogP5.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.26
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]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

2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 953308
1-methyl-2-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 55756099
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
2-chloro-5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 29427087
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240
4-phenylmethoxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2066084

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (CID 2067749) is 2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is DJRPWJKLIQUVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3IN2O/c20-19(21,22)13-8-9-17(25-10-4-1-5-11-25)16(12-13)24-18(26)14-6-2-3-7-15(14)23/h2-3,6-9,12H,1,4-5,10-11H2,(H,24,26).
What are the key properties of 2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 474.26 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 2067749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).