1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide

C21H22Cl2N2O4 — CID 55878723

IUPAC1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCOCCOc1cccc(NC(=O)C2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C21H22Cl2N2O4/c1-28-10-11-29-16-5-2-4-15(13-16)24-20(26)19-6-3-9-25(19)21(27)17-12-14(22)7-8-18(17)23/h2,4-5,7-8,12-13,19H,3,6,9-11H2,1H3,(H,24,26)
InChIKeyDDCUUSIYMGKIAU-UHFFFAOYSA-N
MW437.32 g/mol
LogP4.26
Rot. Bonds7

About 1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide

1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 55878723) has the molecular formula C21H22Cl2N2O4 and a molecular weight of 437.32 g/mol. Its IUPAC name is 1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID55878723
Molecular FormulaC21H22Cl2N2O4
Molecular Weight437.32 g/mol
Exact Mass436.10
IUPAC Name1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESCOCCOc1cccc(NC(=O)C2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C21H22Cl2N2O4/c1-28-10-11-29-16-5-2-4-15(13-16)24-20(26)19-6-3-9-25(19)21(27)17-12-14(22)7-8-18(17)23/h2,4-5,7-8,12-13,19H,3,6,9-11H2,1H3,(H,24,26)
InChIKeyDDCUUSIYMGKIAU-UHFFFAOYSA-N
XLogP4.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
ethyl 3-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 55607238
1-(2,5-dichlorobenzoyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55607440
1-(2,5-dichlorobenzoyl)-N-[2-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 55780335
1-(2,5-dichlorobenzoyl)-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 55605567
2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
CID 87010152
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 154745583
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886
N-(6-amino-3-pyridinyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119515458
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 95764885

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide (CID 55878723) is 1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide is COCCOc1cccc(NC(=O)C2CCCN2C(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is DDCUUSIYMGKIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O4/c1-28-10-11-29-16-5-2-4-15(13-16)24-20(26)19-6-3-9-25(19)21(27)17-12-14(22)7-8-18(17)23/h2,4-5,7-8,12-13,19H,3,6,9-11H2,1H3,(H,24,26).
What are the key properties of 1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide?
1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 437.32 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55878723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).