N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide

C21H21ClFN3O4 — CID 55625292

IUPACN-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)Nc1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C21H21ClFN3O4/c1-12(27)24-17-11-14(6-7-16(17)23)25-20(28)18-4-3-9-26(18)21(29)15-10-13(22)5-8-19(15)30-2/h5-8,10-11,18H,3-4,9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyIPESHEAKKVFCAK-UHFFFAOYSA-N
MW433.87 g/mol
LogP3.69
Rot. Bonds5

About N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide

N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 55625292) has the molecular formula C21H21ClFN3O4 and a molecular weight of 433.87 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID55625292
Molecular FormulaC21H21ClFN3O4
Molecular Weight433.87 g/mol
Exact Mass433.12
IUPAC NameN-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)Nc1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C21H21ClFN3O4/c1-12(27)24-17-11-14(6-7-16(17)23)25-20(28)18-4-3-9-26(18)21(29)15-10-13(22)5-8-19(15)30-2/h5-8,10-11,18H,3-4,9H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyIPESHEAKKVFCAK-UHFFFAOYSA-N
XLogP3.69
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.87
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 55625538
N-(6-amino-3-pyridinyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119515458
1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 47027021
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 95764885
N-[3-[1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-4-fluorophenyl]-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 166354008
N-(3-aminobutyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119496267
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 95159843

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide (CID 55625292) is N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)Nc1ccc(F)c(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is IPESHEAKKVFCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O4/c1-12(27)24-17-11-14(6-7-16(17)23)25-20(28)18-4-3-9-26(18)21(29)15-10-13(22)5-8-19(15)30-2/h5-8,10-11,18H,3-4,9H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide?
N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 433.87 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55625292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).