3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide

C14H19FN2O — CID 110867653

IUPAC3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
SMILESCN1CCCC1CCNC(=O)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-17-9-3-6-13(17)7-8-16-14(18)11-4-2-5-12(15)10-11/h2,4-5,10,13H,3,6-9H2,1H3,(H,16,18)
InChIKeyUJSNXRNOVVBSMQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.04
Rot. Bonds4

About 3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide

3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide (PubChem CID 110867653) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
PubChem CID110867653
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
SMILESCN1CCCC1CCNC(=O)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-17-9-3-6-13(17)7-8-16-14(18)11-4-2-5-12(15)10-11/h2,4-5,10,13H,3,6-9H2,1H3,(H,16,18)
InChIKeyUJSNXRNOVVBSMQ-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
2-[(3-fluorobenzoyl)amino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46113517
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide
CID 11717870
4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 126443787
tert-butyl 2-[[(3-fluorobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 123815493
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
N-[3-[(3-fluorobenzoyl)amino]propyl]-3-methylpyrrolidine-1-carboxamide
CID 86937809
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-3-fluorobenzamide
CID 110716408
2-(3-methoxyphenyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,3-benzoxazole-6-carboxamide
CID 26324000

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide (CID 110867653) is 3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide is CN1CCCC1CCNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide?
The InChIKey is UJSNXRNOVVBSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-17-9-3-6-13(17)7-8-16-14(18)11-4-2-5-12(15)10-11/h2,4-5,10,13H,3,6-9H2,1H3,(H,16,18).
What are the key properties of 3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide?
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide has a molecular weight of 250.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide is sourced from PubChem (CID 110867653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).