3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide

C19H19FN2O2 — CID 126429793

IUPAC3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
SMILESCc1ccc(F)cc1-c1cccc(C(=O)N[C@H]2CCCNC2=O)c1
InChIInChI=1S/C19H19FN2O2/c1-12-7-8-15(20)11-16(12)13-4-2-5-14(10-13)18(23)22-17-6-3-9-21-19(17)24/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyWHIBPMOFRVCSMK-KRWDZBQOSA-N
MW326.37 g/mol
LogP2.81
Rot. Bonds3

About 3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide

3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide (PubChem CID 126429793) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
PubChem CID126429793
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
SMILESCc1ccc(F)cc1-c1cccc(C(=O)N[C@H]2CCCNC2=O)c1
InChIInChI=1S/C19H19FN2O2/c1-12-7-8-15(20)11-16(12)13-4-2-5-14(10-13)18(23)22-17-6-3-9-21-19(17)24/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKeyWHIBPMOFRVCSMK-KRWDZBQOSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-methyl-2-propylpyrimidin-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 126428801
2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125017627
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
3-(diethylsulfamoyl)-N-(2-oxopiperidin-3-yl)benzamide
CID 51128604
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
3-(azepan-1-ylmethyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 124752306
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
N-[(3R)-2-oxoazepan-3-yl]-1H-indole-6-carboxamide
CID 6713907
2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide
CID 43704077
5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
CID 120626685
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 71937894

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide (CID 126429793) is 3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide is Cc1ccc(F)cc1-c1cccc(C(=O)N[C@H]2CCCNC2=O)c1.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
The InChIKey is WHIBPMOFRVCSMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-7-8-15(20)11-16(12)13-4-2-5-14(10-13)18(23)22-17-6-3-9-21-19(17)24/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,24)(H,22,23)/t17-/m0/s1.
What are the key properties of 3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide?
3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide has a molecular weight of 326.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)-N-[(3S)-2-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 126429793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).