2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide

C20H23ClN2O3 — CID 87010152

IUPAC2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESCOCCOc1cccc(NC(=O)N2CCCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C20H23ClN2O3/c1-25-11-12-26-18-8-3-7-17(14-18)22-20(24)23-10-4-9-19(23)15-5-2-6-16(21)13-15/h2-3,5-8,13-14,19H,4,9-12H2,1H3,(H,22,24)
InChIKeyMFHORRLMZSDOQE-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.73
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide

2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide (PubChem CID 87010152) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
PubChem CID87010152
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESCOCCOc1cccc(NC(=O)N2CCCC2c2cccc(Cl)c2)c1
InChIInChI=1S/C20H23ClN2O3/c1-25-11-12-26-18-8-3-7-17(14-18)22-20(24)23-10-4-9-19(23)15-5-2-6-16(21)13-15/h2-3,5-8,13-14,19H,4,9-12H2,1H3,(H,22,24)
InChIKeyMFHORRLMZSDOQE-UHFFFAOYSA-N
XLogP4.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide
CID 78892795
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
1-(2,5-dichlorobenzoyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-2-carboxamide
CID 55878723
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
(2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 51962158
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 136576931
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide (CID 87010152) is 2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide is COCCOc1cccc(NC(=O)N2CCCC2c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is MFHORRLMZSDOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-25-11-12-26-18-8-3-7-17(14-18)22-20(24)23-10-4-9-19(23)15-5-2-6-16(21)13-15/h2-3,5-8,13-14,19H,4,9-12H2,1H3,(H,22,24).
What are the key properties of 2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide?
2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87010152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).