4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide

C19H19FN2O2 — CID 94805691

IUPAC4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O2/c20-16-9-3-13(4-10-16)12-17-2-1-11-22(17)19(24)15-7-5-14(6-8-15)18(21)23/h3-10,17H,1-2,11-12H2,(H2,21,23)/t17-/m0/s1
InChIKeyMFDZXGRWMBMFGM-KRWDZBQOSA-N
MW326.37 g/mol
LogP2.77
Rot. Bonds4

About 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide

4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide (PubChem CID 94805691) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
PubChem CID94805691
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O2/c20-16-9-3-13(4-10-16)12-17-2-1-11-22(17)19(24)15-7-5-14(6-8-15)18(21)23/h3-10,17H,1-2,11-12H2,(H2,21,23)/t17-/m0/s1
InChIKeyMFDZXGRWMBMFGM-KRWDZBQOSA-N
XLogP2.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 154779989
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 136578762
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159
[2-(bromomethyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 74554951
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
CID 142034272
2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride
CID 141153297
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110661811
[2-(bromomethyl)azepan-1-yl]-(4-fluorophenyl)methanone
CID 116639648

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide?
The IUPAC name of 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide (CID 94805691) is 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide.
What is the SMILES notation for 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide?
The canonical SMILES for 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide is NC(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide?
The InChIKey is MFDZXGRWMBMFGM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-16-9-3-13(4-10-16)12-17-2-1-11-22(17)19(24)15-7-5-14(6-8-15)18(21)23/h3-10,17H,1-2,11-12H2,(H2,21,23)/t17-/m0/s1.
What are the key properties of 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide?
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide has a molecular weight of 326.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide is sourced from PubChem (CID 94805691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).