1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide

C17H23FN2O2 — CID 46942772

IUPAC1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCN(C(=O)c2ccc(C)c(F)c2)C1
InChIInChI=1S/C17H23FN2O2/c1-4-8-19-16(22)17(3)7-9-20(11-17)15(21)13-6-5-12(2)14(18)10-13/h5-6,10H,4,7-9,11H2,1-3H3,(H,19,22)
InChIKeyIQFAYMOPRQMMRQ-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.51
Rot. Bonds4

About 1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide

1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide (PubChem CID 46942772) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
PubChem CID46942772
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCN(C(=O)c2ccc(C)c(F)c2)C1
InChIInChI=1S/C17H23FN2O2/c1-4-8-19-16(22)17(3)7-9-20(11-17)15(21)13-6-5-12(2)14(18)10-13/h5-6,10H,4,7-9,11H2,1-3H3,(H,19,22)
InChIKeyIQFAYMOPRQMMRQ-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide (CID 46942772) is 1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1(C)CCN(C(=O)c2ccc(C)c(F)c2)C1.
What is the InChIKey of 1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide?
The InChIKey is IQFAYMOPRQMMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-4-8-19-16(22)17(3)7-9-20(11-17)15(21)13-6-5-12(2)14(18)10-13/h5-6,10H,4,7-9,11H2,1-3H3,(H,19,22).
What are the key properties of 1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide?
1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylbenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46942772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).