(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide

C23H27ClFN5O4 — CID 11156101

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESCN(C)CC(=O)N(C)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C23H27ClFN5O4/c1-28(2)13-21(32)29(3)16-8-9-19(18(25)10-16)27-22(33)20-11-17(31)12-30(20)23(34)26-15-6-4-14(24)5-7-15/h4-10,17,20,31H,11-13H2,1-3H3,(H,26,34)(H,27,33)/t17-,20-/m1/s1
InChIKeyDCVPASZGDOVYRS-YLJYHZDGSA-N
MW491.95 g/mol
LogP2.61
Rot. Bonds6

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide (PubChem CID 11156101) has the molecular formula C23H27ClFN5O4 and a molecular weight of 491.95 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
PubChem CID11156101
Molecular FormulaC23H27ClFN5O4
Molecular Weight491.95 g/mol
Exact Mass491.17
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESCN(C)CC(=O)N(C)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C23H27ClFN5O4/c1-28(2)13-21(32)29(3)16-8-9-19(18(25)10-16)27-22(33)20-11-17(31)12-30(20)23(34)26-15-6-4-14(24)5-7-15/h4-10,17,20,31H,11-13H2,1-3H3,(H,26,34)(H,27,33)/t17-,20-/m1/s1
InChIKeyDCVPASZGDOVYRS-YLJYHZDGSA-N
XLogP2.61
TPSA105.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide (CID 11156101) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide is CN(C)CC(=O)N(C)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
The InChIKey is DCVPASZGDOVYRS-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H27ClFN5O4/c1-28(2)13-21(32)29(3)16-8-9-19(18(25)10-16)27-22(33)20-11-17(31)12-30(20)23(34)26-15-6-4-14(24)5-7-15/h4-10,17,20,31H,11-13H2,1-3H3,(H,26,34)(H,27,33)/t17-,20-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide has a molecular weight of 491.95 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[[2-(dimethylamino)acetyl]-methylamino]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 11156101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).