N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride

C15H17ClN2O — CID 142722130

IUPACN-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)c1ccn2c1CCCC2
InChIInChI=1S/C15H16N2O.ClH/c18-15(16-12-6-2-1-3-7-12)13-9-11-17-10-5-4-8-14(13)17;/h1-3,6-7,9,11H,4-5,8,10H2,(H,16,18);1H
InChIKeyVWESTPOHUBTAPZ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.50
Rot. Bonds2

About N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride

N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride (PubChem CID 142722130) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride
PubChem CID142722130
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)c1ccn2c1CCCC2
InChIInChI=1S/C15H16N2O.ClH/c18-15(16-12-6-2-1-3-7-12)13-9-11-17-10-5-4-8-14(13)17;/h1-3,6-7,9,11H,4-5,8,10H2,(H,16,18);1H
InChIKeyVWESTPOHUBTAPZ-UHFFFAOYSA-N
XLogP3.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 53282261
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3-N-(2-chlorophenyl)-1-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride?
The IUPAC name of N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride (CID 142722130) is N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride?
The canonical SMILES for N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1)c1ccn2c1CCCC2.
What is the InChIKey of N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride?
The InChIKey is VWESTPOHUBTAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O.ClH/c18-15(16-12-6-2-1-3-7-12)13-9-11-17-10-5-4-8-14(13)17;/h1-3,6-7,9,11H,4-5,8,10H2,(H,16,18);1H.
What are the key properties of N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride?
N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride has a molecular weight of 276.77 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride is sourced from PubChem (CID 142722130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).