1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide

C23H26ClFN4O4 — CID 21026090

IUPAC1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide
SMILESCCOC1CC(C(=O)Nc2ccc(C(=O)N(C)C)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClFN4O4/c1-4-33-17-12-20(29(13-17)23(32)26-16-8-6-15(24)7-9-16)21(30)27-19-10-5-14(11-18(19)25)22(31)28(2)3/h5-11,17,20H,4,12-13H2,1-3H3,(H,26,32)(H,27,30)
InChIKeyABNJJRJTIJWMNA-UHFFFAOYSA-N
MW476.94 g/mol
LogP3.83
Rot. Bonds6

About 1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide (PubChem CID 21026090) has the molecular formula C23H26ClFN4O4 and a molecular weight of 476.94 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide
PubChem CID21026090
Molecular FormulaC23H26ClFN4O4
Molecular Weight476.94 g/mol
Exact Mass476.16
IUPAC Name1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide
SMILESCCOC1CC(C(=O)Nc2ccc(C(=O)N(C)C)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClFN4O4/c1-4-33-17-12-20(29(13-17)23(32)26-16-8-6-15(24)7-9-16)21(30)27-19-10-5-14(11-18(19)25)22(31)28(2)3/h5-11,17,20H,4,12-13H2,1-3H3,(H,26,32)(H,27,30)
InChIKeyABNJJRJTIJWMNA-UHFFFAOYSA-N
XLogP3.83
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.94
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-(5-chloro-2-oxo-1-pyridinyl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 59768169
(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
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 10311348
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026057
2-N-[4-[2-(aminomethyl)-5-oxo-2H-pyrrol-1-yl]-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 10128319
(2S,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11591437
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-methyl-1,2-oxazol-3-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68820034
(2R,4R)-2-N-[4-(3-benzoyl-2-oxopyrrolidin-1-yl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68913283
3-[4-[[(2R,4R)-1-[(4-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carbonyl]amino]-3-fluorophenyl]-1,2-oxazole-4-carboxylic acid
CID 68807474
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5,5-dimethyl-2-oxo-3-propan-2-ylimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68807963

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide (CID 21026090) is 1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide is CCOC1CC(C(=O)Nc2ccc(C(=O)N(C)C)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is ABNJJRJTIJWMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O4/c1-4-33-17-12-20(29(13-17)23(32)26-16-8-6-15(24)7-9-16)21(30)27-19-10-5-14(11-18(19)25)22(31)28(2)3/h5-11,17,20H,4,12-13H2,1-3H3,(H,26,32)(H,27,30).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 476.94 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-[4-(dimethylcarbamoyl)-2-fluorophenyl]-4-ethoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 21026090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).