N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride

C27H29ClN2O2 — CID 45262751

IUPACN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride
SMILESCN(C(=O)C1c2ccccc2-c2ccccc21)[C@H](CN1CC[C@H](O)C1)c1ccccc1.Cl
InChIInChI=1S/C27H28N2O2.ClH/c1-28(25(19-9-3-2-4-10-19)18-29-16-15-20(30)17-29)27(31)26-23-13-7-5-11-21(23)22-12-6-8-14-24(22)26;/h2-14,20,25-26,30H,15-18H2,1H3;1H/t20-,25+;/m0./s1
InChIKeyYYUZSYOTASMXST-XWGBWKJCSA-N
MW448.99 g/mol
LogP4.49
Rot. Bonds5

About N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride

N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride (PubChem CID 45262751) has the molecular formula C27H29ClN2O2 and a molecular weight of 448.99 g/mol. Its IUPAC name is N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride
PubChem CID45262751
Molecular FormulaC27H29ClN2O2
Molecular Weight448.99 g/mol
Exact Mass448.19
IUPAC NameN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride
SMILESCN(C(=O)C1c2ccccc2-c2ccccc21)[C@H](CN1CC[C@H](O)C1)c1ccccc1.Cl
InChIInChI=1S/C27H28N2O2.ClH/c1-28(25(19-9-3-2-4-10-19)18-29-16-15-20(30)17-29)27(31)26-23-13-7-5-11-21(23)22-12-6-8-14-24(22)26;/h2-14,20,25-26,30H,15-18H2,1H3;1H/t20-,25+;/m0./s1
InChIKeyYYUZSYOTASMXST-XWGBWKJCSA-N
XLogP4.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.99
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride 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

Asimadoline
CID 179340
Asimadoline hydrochloride
CID 9846614
N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]-9H-fluorene-9-carboxamide
CID 44331366
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N,3-dimethyl-2-phenylbutanamide;hydrochloride
CID 45262656
2-cyclohexyl-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-phenylacetamide;hydrochloride
CID 45262665
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-bis(4-methylphenyl)acetamide;hydrochloride
CID 45262691
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide;hydrochloride
CID 45262738
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9,10-dihydroanthracene-9-carboxamide;hydrochloride
CID 45262742
2,2-bis(4-chlorophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide;hydrochloride
CID 45262747
2,2-bis(4-fluorophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide;hydrochloride
CID 45262782
2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-2-indanecarboxamide
CID 56884109
N-[3-(benzylamino)-2-hydroxypropyl]-9H-fluorene-9-carboxamide
CID 172448970

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride?
The IUPAC name of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride (CID 45262751) is N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride?
The canonical SMILES for N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride is CN(C(=O)C1c2ccccc2-c2ccccc21)[C@H](CN1CC[C@H](O)C1)c1ccccc1.Cl.
What is the InChIKey of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride?
The InChIKey is YYUZSYOTASMXST-XWGBWKJCSA-N. The full InChI is InChI=1S/C27H28N2O2.ClH/c1-28(25(19-9-3-2-4-10-19)18-29-16-15-20(30)17-29)27(31)26-23-13-7-5-11-21(23)22-12-6-8-14-24(22)26;/h2-14,20,25-26,30H,15-18H2,1H3;1H/t20-,25+;/m0./s1.
What are the key properties of N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride?
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride has a molecular weight of 448.99 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-9H-fluorene-9-carboxamide;hydrochloride is sourced from PubChem (CID 45262751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).