1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide

C15H19ClN2O3 — CID 56813709

IUPAC1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C15H19ClN2O3/c1-15(2,21-12-5-3-11(16)4-6-12)14(20)18-8-7-10(9-18)13(17)19/h3-6,10H,7-9H2,1-2H3,(H2,17,19)
InChIKeyOJEHSIJKNVCKOQ-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.83
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide

1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide (PubChem CID 56813709) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide
PubChem CID56813709
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)C1
InChIInChI=1S/C15H19ClN2O3/c1-15(2,21-12-5-3-11(16)4-6-12)14(20)18-8-7-10(9-18)13(17)19/h3-6,10H,7-9H2,1-2H3,(H2,17,19)
InChIKeyOJEHSIJKNVCKOQ-UHFFFAOYSA-N
XLogP1.83
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
2-(4-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114680050
methyl 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-3-carboxylate
CID 108754829
2-(4-chlorophenoxy)-2-methyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 121178554
2-(4-chlorophenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 24615476
2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 25474118
2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90639127
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 167632774
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 60607238
2-(4-chlorophenoxy)-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 2937910
2-(4-chlorophenoxy)-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-methylpropan-1-one
CID 71785134
methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate
CID 86977288

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide (CID 56813709) is 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(C(N)=O)C1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide?
The InChIKey is OJEHSIJKNVCKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-15(2,21-12-5-3-11(16)4-6-12)14(20)18-8-7-10(9-18)13(17)19/h3-6,10H,7-9H2,1-2H3,(H2,17,19).
What are the key properties of 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide?
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 56813709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).