2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide

C20H20F2N2O2 — CID 51130305

IUPAC2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N2O2/c21-15-8-9-16(17(22)13-15)19(25)23-18(12-14-6-2-1-3-7-14)20(26)24-10-4-5-11-24/h1-3,6-9,13,18H,4-5,10-12H2,(H,23,25)
InChIKeyXTQXVZKMSHPIIJ-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.93
Rot. Bonds5

About 2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide

2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 51130305) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID51130305
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCCC1)c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N2O2/c21-15-8-9-16(17(22)13-15)19(25)23-18(12-14-6-2-1-3-7-14)20(26)24-10-4-5-11-24/h1-3,6-9,13,18H,4-5,10-12H2,(H,23,25)
InChIKeyXTQXVZKMSHPIIJ-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
CID 63754320
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 51102650
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-2-phenoxyacetamide
CID 110347375
2-(cyclopropylmethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762010
3-(aminomethyl)-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide;hydrochloride
CID 119044825
2-(2-methoxyethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762028

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 51130305) is 2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide is O=C(NC(Cc1ccccc1)C(=O)N1CCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is XTQXVZKMSHPIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-15-8-9-16(17(22)13-15)19(25)23-18(12-14-6-2-1-3-7-14)20(26)24-10-4-5-11-24/h1-3,6-9,13,18H,4-5,10-12H2,(H,23,25).
What are the key properties of 2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 358.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 51130305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).