3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride

C13H15ClF3IN2O — CID 119388602

IUPAC3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1cc(I)cc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3IN2O.ClH/c14-13(15,16)9-5-8(6-10(17)7-9)12(20)19-11-1-3-18-4-2-11;/h5-7,11,18H,1-4H2,(H,19,20);1H
InChIKeyIQAXBGLKXIKLJN-UHFFFAOYSA-N
MW434.63 g/mol
LogP3.21
Rot. Bonds2

About 3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride

3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119388602) has the molecular formula C13H15ClF3IN2O and a molecular weight of 434.63 g/mol. Its IUPAC name is 3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119388602
Molecular FormulaC13H15ClF3IN2O
Molecular Weight434.63 g/mol
Exact Mass433.99
IUPAC Name3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1cc(I)cc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3IN2O.ClH/c14-13(15,16)9-5-8(6-10(17)7-9)12(20)19-11-1-3-18-4-2-11;/h5-7,11,18H,1-4H2,(H,19,20);1H
InChIKeyIQAXBGLKXIKLJN-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119512777
N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide
CID 30772760
3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide
CID 120598564
N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46548552
N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide
CID 119384158
3-[[3-iodo-5-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 119177398
N-cyclopentyl-3-ethynyl-5-(trifluoromethyl)benzamide
CID 162340861
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 165436239
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119457403
N-[2-oxo-2-(piperidin-4-ylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 119389396
3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide
CID 119425956
N-cyclopentyl-3-piperidin-4-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 171361785

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of 3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride (CID 119388602) is 3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for 3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1cc(I)cc(C(F)(F)F)c1.
What is the InChIKey of 3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is IQAXBGLKXIKLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3IN2O.ClH/c14-13(15,16)9-5-8(6-10(17)7-9)12(20)19-11-1-3-18-4-2-11;/h5-7,11,18H,1-4H2,(H,19,20);1H.
What are the key properties of 3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride?
3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 434.63 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119388602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).