1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide

C14H17FN2O2 — CID 91795304

IUPAC1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(C)cc2F)C1
InChIInChI=1S/C14H17FN2O2/c1-9-3-4-11(12(15)7-9)14(19)17-6-5-10(8-17)13(18)16-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyPOIZFYXOEKDYFD-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.34
Rot. Bonds2

About 1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide

1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 91795304) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID91795304
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2ccc(C)cc2F)C1
InChIInChI=1S/C14H17FN2O2/c1-9-3-4-11(12(15)7-9)14(19)17-6-5-10(8-17)13(18)16-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyPOIZFYXOEKDYFD-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-methyl-1-[5-methyl-2-(1,2,4-triazol-4-yl)benzoyl]pyrrolidine-3-carboxamide
CID 164636343
[3-(2-bromoethyl)pyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 114801515
(2-fluoro-4-methylphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79810538
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449
(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 79783331
1-(3-chloro-4-fluorobenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 91784718
(2-fluoro-4-methylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397919
ethyl 1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxylate
CID 79765192
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
(2-fluoro-4-methylphenyl)-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498661
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55607540

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide (CID 91795304) is 1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(C(=O)c2ccc(C)cc2F)C1.
What is the InChIKey of 1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is POIZFYXOEKDYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9-3-4-11(12(15)7-9)14(19)17-6-5-10(8-17)13(18)16-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of 1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide?
1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylbenzoyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91795304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).