N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide

C25H25ClN2O3 — CID 123728351

IUPACN-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CC(O)CN1Cc1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C25H25ClN2O3/c26-21-8-4-17(5-9-21)14-27-25(31)24-13-23(30)16-28(24)15-18-2-1-3-20(12-18)19-6-10-22(29)11-7-19/h1-12,23-24,29-30H,13-16H2,(H,27,31)
InChIKeyRSUPDNGQFLTOHH-UHFFFAOYSA-N
MW436.94 g/mol
LogP3.96
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide

N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 123728351) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID123728351
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC NameN-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CC(O)CN1Cc1cccc(-c2ccc(O)cc2)c1
InChIInChI=1S/C25H25ClN2O3/c26-21-8-4-17(5-9-21)14-27-25(31)24-13-23(30)16-28(24)15-18-2-1-3-20(12-18)19-6-10-22(29)11-7-19/h1-12,23-24,29-30H,13-16H2,(H,27,31)
InChIKeyRSUPDNGQFLTOHH-UHFFFAOYSA-N
XLogP3.96
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 72734417
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[3-[3-(hydroxymethyl)phenyl]benzoyl]pyrrolidine-2-carboxamide
CID 123372926
(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(3-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 71608949
N-[(4-chlorophenyl)methyl]-1-[[3-(3-methoxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134800440
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[2-[3-(hydroxymethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 123563649
1-(2-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 77136388
N-[[3-(4-chlorophenyl)phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123724704
(2S,4R)-N-[(4-chlorophenyl)methyl]-1-[(3-cyanophenyl)-hydroxymethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 146357934
(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 71608952
(2S)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 146357871
(2S,4R)-1-[(3,4-difluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 67774272
(2S)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[2-(oxolan-3-yloxy)acetyl]pyrrolidine-2-carboxamide
CID 146358146

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 123728351) is N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CC(O)CN1Cc1cccc(-c2ccc(O)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is RSUPDNGQFLTOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c26-21-8-4-17(5-9-21)14-27-25(31)24-13-23(30)16-28(24)15-18-2-1-3-20(12-18)19-6-10-22(29)11-7-19/h1-12,23-24,29-30H,13-16H2,(H,27,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[[3-(4-hydroxyphenyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123728351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).