3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide

C27H30FN3O2 — CID 78151822

IUPAC3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
SMILESCCC(NC(=O)c1cc(C(=O)NCCc2ccc(F)cc2)n2c1CCCC2)c1ccccc1
InChIInChI=1S/C27H30FN3O2/c1-2-23(20-8-4-3-5-9-20)30-26(32)22-18-25(31-17-7-6-10-24(22)31)27(33)29-16-15-19-11-13-21(28)14-12-19/h3-5,8-9,11-14,18,23H,2,6-7,10,15-17H2,1H3,(H,29,33)(H,30,32)
InChIKeyQYNGJAOWYDBDJP-UHFFFAOYSA-N
MW447.55 g/mol
LogP4.82
Rot. Bonds8

About 3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide

3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide (PubChem CID 78151822) has the molecular formula C27H30FN3O2 and a molecular weight of 447.55 g/mol. Its IUPAC name is 3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
PubChem CID78151822
Molecular FormulaC27H30FN3O2
Molecular Weight447.55 g/mol
Exact Mass447.23
IUPAC Name3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
SMILESCCC(NC(=O)c1cc(C(=O)NCCc2ccc(F)cc2)n2c1CCCC2)c1ccccc1
InChIInChI=1S/C27H30FN3O2/c1-2-23(20-8-4-3-5-9-20)30-26(32)22-18-25(31-17-7-6-10-24(22)31)27(33)29-16-15-19-11-13-21(28)14-12-19/h3-5,8-9,11-14,18,23H,2,6-7,10,15-17H2,1H3,(H,29,33)(H,30,32)
InChIKeyQYNGJAOWYDBDJP-UHFFFAOYSA-N
XLogP4.82
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(4-fluorophenyl)ethyl]-1-N-[(1S)-1-phenylpropyl]-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 71696132
3-N-benzyl-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 123457893
7-N-[1-(4-fluorophenyl)ethyl]-5-N-[(1R)-1-phenylpropyl]-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-5,7-dicarboxamide
CID 126514503
5-(1-phenylpropylcarbamoyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxylic acid
CID 123682651
2-methyl-3-oxo-N-[(1S)-1-phenylpropyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 129347202
methyl 3-[[[8-(1-phenylpropylcarbamoyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbonyl]amino]methyl]benzoate
CID 123542135
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[(1S)-3-[2-(4-fluorophenyl)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 9210450
6-N-[(1R)-1-phenylpropyl]-8-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 71696001
6-N-(cyclopropylmethyl)-6-N-methyl-8-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 123845454
6-(2,2-dimethylpyrrolidine-1-carbonyl)-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxamide
CID 123314351
6-N-ethyl-6-N-[(2-methyltetrazol-5-yl)methyl]-8-N-[(1R)-1-phenylpropyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 118946078

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide (CID 78151822) is 3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide is CCC(NC(=O)c1cc(C(=O)NCCc2ccc(F)cc2)n2c1CCCC2)c1ccccc1.
What is the InChIKey of 3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide?
The InChIKey is QYNGJAOWYDBDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O2/c1-2-23(20-8-4-3-5-9-20)30-26(32)22-18-25(31-17-7-6-10-24(22)31)27(33)29-16-15-19-11-13-21(28)14-12-19/h3-5,8-9,11-14,18,23H,2,6-7,10,15-17H2,1H3,(H,29,33)(H,30,32).
What are the key properties of 3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide?
3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide has a molecular weight of 447.55 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(4-fluorophenyl)ethyl]-1-N-(1-phenylpropyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide is sourced from PubChem (CID 78151822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).