2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide

C18H19FN2O2 — CID 71809546

IUPAC2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1
InChIInChI=1S/C18H19FN2O2/c1-23-15-10-11-21(12-15)14-8-6-13(7-9-14)20-18(22)16-4-2-3-5-17(16)19/h2-9,15H,10-12H2,1H3,(H,20,22)
InChIKeyHFRXXHNEYVRKQD-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.30
Rot. Bonds4

About 2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide

2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide (PubChem CID 71809546) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
PubChem CID71809546
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1
InChIInChI=1S/C18H19FN2O2/c1-23-15-10-11-21(12-15)14-8-6-13(7-9-14)20-18(22)16-4-2-3-5-17(16)19/h2-9,15H,10-12H2,1H3,(H,20,22)
InChIKeyHFRXXHNEYVRKQD-UHFFFAOYSA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 97427587
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
CID 72719161
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 71809591
N-[4-[4-(butan-2-ylamino)piperidin-1-yl]phenyl]-2-fluorobenzamide
CID 45243203
2-fluoro-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 21234816

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide (CID 71809546) is 2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide is COC1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1.
What is the InChIKey of 2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is HFRXXHNEYVRKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-23-15-10-11-21(12-15)14-8-6-13(7-9-14)20-18(22)16-4-2-3-5-17(16)19/h2-9,15H,10-12H2,1H3,(H,20,22).
What are the key properties of 2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide?
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 314.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 71809546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).