(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide

C27H29ClN4O3 — CID 11260412

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESCN(C)Cc1ccccc1-c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H29ClN4O3/c1-31(2)16-19-5-3-4-6-24(19)18-7-11-21(12-8-18)29-26(34)25-15-23(33)17-32(25)27(35)30-22-13-9-20(28)10-14-22/h3-14,23,25,33H,15-17H2,1-2H3,(H,29,34)(H,30,35)/t23-,25-/m1/s1
InChIKeySIUMXHIIEINZIO-ILBGXUMGSA-N
MW493.01 g/mol
LogP4.67
Rot. Bonds6

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide (PubChem CID 11260412) has the molecular formula C27H29ClN4O3 and a molecular weight of 493.01 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
PubChem CID11260412
Molecular FormulaC27H29ClN4O3
Molecular Weight493.01 g/mol
Exact Mass492.19
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESCN(C)Cc1ccccc1-c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H29ClN4O3/c1-31(2)16-19-5-3-4-6-24(19)18-7-11-21(12-8-18)29-26(34)25-15-23(33)17-32(25)27(35)30-22-13-9-20(28)10-14-22/h3-14,23,25,33H,15-17H2,1-2H3,(H,29,34)(H,30,35)/t23-,25-/m1/s1
InChIKeySIUMXHIIEINZIO-ILBGXUMGSA-N
XLogP4.67
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-methoxyphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 59768199
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[(2-hydroxyacetyl)-methylamino]phenyl]pyrrolidine-1,2-dicarboxamide
CID 11374259
[2-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-methylanilino]-2-oxoethyl] acetate
CID 11454627
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-[methyl-[2-(propan-2-ylamino)acetyl]amino]phenyl]pyrrolidine-1,2-dicarboxamide
CID 11202601
1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43185753
(2R,4R)-2-N-[4-[[2-[butyl(methyl)amino]acetyl]-methylamino]phenyl]-1-N-(4-chlorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11409733
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]-methylamino]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11168751
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(triazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026021
(2S,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11591437
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 21026059
1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 21026013
(2R,4R)-2-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7450544

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide (CID 11260412) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide is CN(C)Cc1ccccc1-c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
The InChIKey is SIUMXHIIEINZIO-ILBGXUMGSA-N. The full InChI is InChI=1S/C27H29ClN4O3/c1-31(2)16-19-5-3-4-6-24(19)18-7-11-21(12-8-18)29-26(34)25-15-23(33)17-32(25)27(35)30-22-13-9-20(28)10-14-22/h3-14,23,25,33H,15-17H2,1-2H3,(H,29,34)(H,30,35)/t23-,25-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide has a molecular weight of 493.01 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 11260412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).