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

C19H22FN3O2 — CID 167855648

IUPAC4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCn1cccc1C1CCCCN1C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-22-11-4-6-16(22)17-5-2-3-12-23(17)18(24)13-21-19(25)14-7-9-15(20)10-8-14/h4,6-11,17H,2-3,5,12-13H2,1H3,(H,21,25)
InChIKeyQCUUTCQLSDOHSA-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.65
Rot. Bonds4

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

4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 167855648) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID167855648
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCn1cccc1C1CCCCN1C(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-22-11-4-6-16(22)17-5-2-3-12-23(17)18(24)13-21-19(25)14-7-9-15(20)10-8-14/h4,6-11,17H,2-3,5,12-13H2,1H3,(H,21,25)
InChIKeyQCUUTCQLSDOHSA-UHFFFAOYSA-N
XLogP2.65
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]methyl]acetamide
CID 24685063
4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 51325119
(2S)-N-[2-(4-fluorophenoxy)ethyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 97186286
1-methyl-3-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 24653759
1-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 97219859
1-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 71983259
[2-(1-methylpyrrol-2-yl)azepan-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24685164
(5S)-5-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]pyrrolidin-2-one
CID 95134113
5-methyl-3-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 112802636
4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
2,2,2-trifluoroethyl 2-(1-methylpyrrol-2-yl)azepane-1-carboxylate
CID 65168429
N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 24664542

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 167855648) is 4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide is Cn1cccc1C1CCCCN1C(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is QCUUTCQLSDOHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22-11-4-6-16(22)17-5-2-3-12-23(17)18(24)13-21-19(25)14-7-9-15(20)10-8-14/h4,6-11,17H,2-3,5,12-13H2,1H3,(H,21,25).
What are the key properties of 4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 343.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 167855648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).