N-[(4-bromophenyl)methyl]indolizine-2-carboxamide

C16H13BrN2O — CID 46388312

IUPACN-[(4-bromophenyl)methyl]indolizine-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1cc2ccccn2c1
InChIInChI=1S/C16H13BrN2O/c17-14-6-4-12(5-7-14)10-18-16(20)13-9-15-3-1-2-8-19(15)11-13/h1-9,11H,10H2,(H,18,20)
InChIKeyXEHLAFLFFSULLN-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.63
Rot. Bonds3

About N-[(4-bromophenyl)methyl]indolizine-2-carboxamide

N-[(4-bromophenyl)methyl]indolizine-2-carboxamide (PubChem CID 46388312) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]indolizine-2-carboxamide
PubChem CID46388312
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC NameN-[(4-bromophenyl)methyl]indolizine-2-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)c1cc2ccccn2c1
InChIInChI=1S/C16H13BrN2O/c17-14-6-4-12(5-7-14)10-18-16(20)13-9-15-3-1-2-8-19(15)11-13/h1-9,11H,10H2,(H,18,20)
InChIKeyXEHLAFLFFSULLN-UHFFFAOYSA-N
XLogP3.63
TPSA33.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]indolizine-2-carboxamide
CID 46388289
N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide
CID 46388327
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-[2-(indolizine-2-carbonylamino)phenyl]indolizine-2-carboxamide
CID 171577142
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
N-[4-(benzylsulfamoyl)phenyl]indolizine-2-carboxamide
CID 167789762
N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 87468856
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide
CID 107233417
N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide
CID 119102521
N-[(4-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78948071
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]indolizine-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]indolizine-2-carboxamide (CID 46388312) is N-[(4-bromophenyl)methyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]indolizine-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]indolizine-2-carboxamide is O=C(NCc1ccc(Br)cc1)c1cc2ccccn2c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]indolizine-2-carboxamide?
The InChIKey is XEHLAFLFFSULLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-14-6-4-12(5-7-14)10-18-16(20)13-9-15-3-1-2-8-19(15)11-13/h1-9,11H,10H2,(H,18,20).
What are the key properties of N-[(4-bromophenyl)methyl]indolizine-2-carboxamide?
N-[(4-bromophenyl)methyl]indolizine-2-carboxamide has a molecular weight of 329.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]indolizine-2-carboxamide is sourced from PubChem (CID 46388312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).