(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C26H32ClN5O4 — CID 68807615

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCCNC1CCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H32ClN5O4/c1-3-28-23-5-4-14-31(23)25(34)17-6-10-19(11-7-17)29-24(33)22-15-21(36-2)16-32(22)26(35)30-20-12-8-18(27)9-13-20/h6-13,21-23,28H,3-5,14-16H2,1-2H3,(H,29,33)(H,30,35)/t21-,22-,23?/m1/s1
InChIKeyWMBXZLBAIIEMPO-WELAQSEPSA-N
MW514.03 g/mol
LogP3.77
Rot. Bonds7

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 68807615) has the molecular formula C26H32ClN5O4 and a molecular weight of 514.03 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID68807615
Molecular FormulaC26H32ClN5O4
Molecular Weight514.03 g/mol
Exact Mass513.21
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCCNC1CCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H32ClN5O4/c1-3-28-23-5-4-14-31(23)25(34)17-6-10-19(11-7-17)29-24(33)22-15-21(36-2)16-32(22)26(35)30-20-12-8-18(27)9-13-20/h6-13,21-23,28H,3-5,14-16H2,1-2H3,(H,29,33)(H,30,35)/t21-,22-,23?/m1/s1
InChIKeyWMBXZLBAIIEMPO-WELAQSEPSA-N
XLogP3.77
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.03
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 16722214
(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 58619630
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[ethyl(propan-2-yl)carbamoyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808029
(2R,4R)-2-N-[4-(3-benzoyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68913283
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026057
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CID 143202416
(2R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 143526113
(2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide
CID 89155887
(2R,4R)-2-N-[4-(5-chloro-2-oxo-1-pyridinyl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 59768169
2-[(4R)-1-[4-[[1-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]phenyl]-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 68807033
4-[4-[[1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]thiophene-3-carboxylic acid
CID 22181625
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-hydroxy-2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808052

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 68807615) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is CCNC1CCCN1C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is WMBXZLBAIIEMPO-WELAQSEPSA-N. The full InChI is InChI=1S/C26H32ClN5O4/c1-3-28-23-5-4-14-31(23)25(34)17-6-10-19(11-7-17)29-24(33)22-15-21(36-2)16-32(22)26(35)30-20-12-8-18(27)9-13-20/h6-13,21-23,28H,3-5,14-16H2,1-2H3,(H,29,33)(H,30,35)/t21-,22-,23?/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 514.03 g/mol, XLogP of 3.77, 7 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-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 68807615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).