2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide

C19H23FN4O2 — CID 155958350

IUPAC2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)C(C)c3cnn(C)c3)C2)c1F
InChIInChI=1S/C19H23FN4O2/c1-12-5-4-6-16(17(12)20)18(25)22-15-7-8-24(11-15)19(26)13(2)14-9-21-23(3)10-14/h4-6,9-10,13,15H,7-8,11H2,1-3H3,(H,22,25)
InChIKeyOLCVCRGMYRDJPR-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.00
Rot. Bonds4

About 2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide

2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide (PubChem CID 155958350) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide
PubChem CID155958350
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)C(C)c3cnn(C)c3)C2)c1F
InChIInChI=1S/C19H23FN4O2/c1-12-5-4-6-16(17(12)20)18(25)22-15-7-8-24(11-15)19(26)13(2)14-9-21-23(3)10-14/h4-6,9-10,13,15H,7-8,11H2,1-3H3,(H,22,25)
InChIKeyOLCVCRGMYRDJPR-UHFFFAOYSA-N
XLogP2.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 80710472
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
5-fluoro-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
CID 59984467
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 55790830
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
N-(1-cyclopentylethyl)-2-fluoro-3-methylbenzamide
CID 80711780

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide (CID 155958350) is 2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide is Cc1cccc(C(=O)NC2CCN(C(=O)C(C)c3cnn(C)c3)C2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide?
The InChIKey is OLCVCRGMYRDJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-12-5-4-6-16(17(12)20)18(25)22-15-7-8-24(11-15)19(26)13(2)14-9-21-23(3)10-14/h4-6,9-10,13,15H,7-8,11H2,1-3H3,(H,22,25).
What are the key properties of 2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide?
2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide has a molecular weight of 358.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[1-[2-(1-methylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 155958350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).