N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide

C20H23FN2O2 — CID 99874395

IUPACN-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
SMILESCO[C@@H]1CCN(c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C20H23FN2O2/c1-25-19-11-13-23(14-19)18-8-4-16(5-9-18)20(24)22-12-10-15-2-6-17(21)7-3-15/h2-9,19H,10-14H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyVMRSSKXZKWZIIG-LJQANCHMSA-N
MW342.41 g/mol
LogP3.02
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide

N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide (PubChem CID 99874395) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
PubChem CID99874395
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
SMILESCO[C@@H]1CCN(c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C20H23FN2O2/c1-25-19-11-13-23(14-19)18-8-4-16(5-9-18)20(24)22-12-10-15-2-6-17(21)7-3-15/h2-9,19H,10-14H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyVMRSSKXZKWZIIG-LJQANCHMSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
CID 124845202
4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
CID 99874398
4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 91813629
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
N-[2-(4-fluorophenyl)ethyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42349725
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046101
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
N-cyclopropyl-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813653

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide (CID 99874395) is N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide is CO[C@@H]1CCN(c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)C1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide?
The InChIKey is VMRSSKXZKWZIIG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-25-19-11-13-23(14-19)18-8-4-16(5-9-18)20(24)22-12-10-15-2-6-17(21)7-3-15/h2-9,19H,10-14H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide?
N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide is sourced from PubChem (CID 99874395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).