2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide

C20H21F2N3O2 — CID 60508520

IUPAC2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
SMILESO=C(CN1CCC(NC(=O)c2ccccc2F)CC1)Nc1cccc(F)c1
InChIInChI=1S/C20H21F2N3O2/c21-14-4-3-5-16(12-14)23-19(26)13-25-10-8-15(9-11-25)24-20(27)17-6-1-2-7-18(17)22/h1-7,12,15H,8-11,13H2,(H,23,26)(H,24,27)
InChIKeyZQCSJNWLDGREAL-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.80
Rot. Bonds5

About 2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide

2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 60508520) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID60508520
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC Name2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
SMILESO=C(CN1CCC(NC(=O)c2ccccc2F)CC1)Nc1cccc(F)c1
InChIInChI=1S/C20H21F2N3O2/c21-14-4-3-5-16(12-14)23-19(26)13-25-10-8-15(9-11-25)24-20(27)17-6-1-2-7-18(17)22/h1-7,12,15H,8-11,13H2,(H,23,26)(H,24,27)
InChIKeyZQCSJNWLDGREAL-UHFFFAOYSA-N
XLogP2.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide
CID 3220947
N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride
CID 23724353
N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 30704619
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 8711203
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
(2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 9044690
N-(3-fluorophenyl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 33350694
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63627169
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-fluorophenyl)acetamide;hydrochloride
CID 119928163
N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea
CID 63631483

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide (CID 60508520) is 2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide is O=C(CN1CCC(NC(=O)c2ccccc2F)CC1)Nc1cccc(F)c1.
What is the InChIKey of 2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is ZQCSJNWLDGREAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c21-14-4-3-5-16(12-14)23-19(26)13-25-10-8-15(9-11-25)24-20(27)17-6-1-2-7-18(17)22/h1-7,12,15H,8-11,13H2,(H,23,26)(H,24,27).
What are the key properties of 2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide?
2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 373.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 60508520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).