2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide

C21H25ClN2O3 — CID 90595323

IUPAC2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide
SMILESCOC1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H25ClN2O3/c1-21(2,27-18-10-4-15(22)5-11-18)20(25)23-16-6-8-17(9-7-16)24-13-12-19(14-24)26-3/h4-11,19H,12-14H2,1-3H3,(H,23,25)
InChIKeyROMNKPIDWXJHQQ-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.36
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide (PubChem CID 90595323) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide
PubChem CID90595323
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide
SMILESCOC1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H25ClN2O3/c1-21(2,27-18-10-4-15(22)5-11-18)20(25)23-16-6-8-17(9-7-16)24-13-12-19(14-24)26-3/h4-11,19H,12-14H2,1-3H3,(H,23,25)
InChIKeyROMNKPIDWXJHQQ-UHFFFAOYSA-N
XLogP4.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide (CID 90595323) is 2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide is COC1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide?
The InChIKey is ROMNKPIDWXJHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-21(2,27-18-10-4-15(22)5-11-18)20(25)23-16-6-8-17(9-7-16)24-13-12-19(14-24)26-3/h4-11,19H,12-14H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide has a molecular weight of 388.90 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 90595323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).