2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride

C18H20ClFN2O2 — CID 119450691

IUPAC2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2.ClH/c19-14-7-5-13(6-8-14)12-23-17-4-2-1-3-16(17)18(22)21-15-9-10-20-11-15;/h1-8,15,20H,9-12H2,(H,21,22);1H
InChIKeyMSCVYAAGZRPPCN-UHFFFAOYSA-N
MW350.82 g/mol
LogP2.92
Rot. Bonds5

About 2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride

2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119450691) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119450691
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2.ClH/c19-14-7-5-13(6-8-14)12-23-17-4-2-1-3-16(17)18(22)21-15-9-10-20-11-15;/h1-8,15,20H,9-12H2,(H,21,22);1H
InChIKeyMSCVYAAGZRPPCN-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide
CID 119388320
2-[(2-methylphenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453556
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 26003545
2-[(2-chlorophenyl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428088
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 16625912
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428154
2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451945
N-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242
2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 24708250
2-[(4-fluorophenyl)methoxy]-N'-phenylbenzohydrazide
CID 78774963
2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077942

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119450691) is 2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNC1)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is MSCVYAAGZRPPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2.ClH/c19-14-7-5-13(6-8-14)12-23-17-4-2-1-3-16(17)18(22)21-15-9-10-20-11-15;/h1-8,15,20H,9-12H2,(H,21,22);1H.
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 350.82 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119450691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).