2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide

C21H23FN2O2 — CID 126434887

IUPAC2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide
SMILESCCC[C@H]1CCCN1C(=O)c1cccc(-c2cccc(F)c2C(N)=O)c1
InChIInChI=1S/C21H23FN2O2/c1-2-6-16-9-5-12-24(16)21(26)15-8-3-7-14(13-15)17-10-4-11-18(22)19(17)20(23)25/h3-4,7-8,10-11,13,16H,2,5-6,9,12H2,1H3,(H2,23,25)/t16-/m0/s1
InChIKeyOAFTXPUZVCQCFF-INIZCTEOSA-N
MW354.43 g/mol
LogP4.00
Rot. Bonds5

About 2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide

2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide (PubChem CID 126434887) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide
PubChem CID126434887
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide
SMILESCCC[C@H]1CCCN1C(=O)c1cccc(-c2cccc(F)c2C(N)=O)c1
InChIInChI=1S/C21H23FN2O2/c1-2-6-16-9-5-12-24(16)21(26)15-8-3-7-14(13-15)17-10-4-11-18(22)19(17)20(23)25/h3-4,7-8,10-11,13,16H,2,5-6,9,12H2,1H3,(H2,23,25)/t16-/m0/s1
InChIKeyOAFTXPUZVCQCFF-INIZCTEOSA-N
XLogP4.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-6-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 104918435
(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
CID 142034272
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid
CID 136546901
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methylsulfanylphenyl)phenyl]methanone
CID 118779278
(3-amino-2,6-difluorophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83053205
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107689544
(2S,3S)-1-[3-(2-ethoxyphenyl)benzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116816
2-[1-(3-carbamoylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372262
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 63767479
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide (CID 126434887) is 2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide is CCC[C@H]1CCCN1C(=O)c1cccc(-c2cccc(F)c2C(N)=O)c1.
What is the InChIKey of 2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide?
The InChIKey is OAFTXPUZVCQCFF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-2-6-16-9-5-12-24(16)21(26)15-8-3-7-14(13-15)17-10-4-11-18(22)19(17)20(23)25/h3-4,7-8,10-11,13,16H,2,5-6,9,12H2,1H3,(H2,23,25)/t16-/m0/s1.
What are the key properties of 2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide?
2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide has a molecular weight of 354.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[3-[(2S)-2-propylpyrrolidine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 126434887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).