3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride

C18H20ClFN2O — CID 154911098

IUPAC3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
SMILESCl.O=C(NC[C@@H]1CCCN1)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O.ClH/c19-16-8-6-13(7-9-16)14-3-1-4-15(11-14)18(22)21-12-17-5-2-10-20-17;/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22);1H/t17-;/m0./s1
InChIKeyUEVHFGRTTNYQJJ-LMOVPXPDSA-N
MW334.82 g/mol
LogP3.40
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride

3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride (PubChem CID 154911098) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
PubChem CID154911098
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
SMILESCl.O=C(NC[C@@H]1CCCN1)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN2O.ClH/c19-16-8-6-13(7-9-16)14-3-1-4-15(11-14)18(22)21-12-17-5-2-10-20-17;/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22);1H/t17-;/m0./s1
InChIKeyUEVHFGRTTNYQJJ-LMOVPXPDSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119510406

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride (CID 154911098) is 3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride is Cl.O=C(NC[C@@H]1CCCN1)c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride?
The InChIKey is UEVHFGRTTNYQJJ-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H19FN2O.ClH/c19-16-8-6-13(7-9-16)14-3-1-4-15(11-14)18(22)21-12-17-5-2-10-20-17;/h1,3-4,6-9,11,17,20H,2,5,10,12H2,(H,21,22);1H/t17-;/m0./s1.
What are the key properties of 3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride?
3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride has a molecular weight of 334.82 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 154911098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).