N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide

C17H17FN2O — CID 140854257

IUPACN-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide
SMILESO=C(N[C@@H]1CNC[C@H]1F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17FN2O/c18-15-10-19-11-16(15)20-17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,20,21)/t15-,16-/m1/s1
InChIKeyFNSBOFNSDAPWFR-HZPDHXFCSA-N
MW284.33 g/mol
LogP2.39
Rot. Bonds3

About N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide

N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide (PubChem CID 140854257) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide
PubChem CID140854257
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide
SMILESO=C(N[C@@H]1CNC[C@H]1F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17FN2O/c18-15-10-19-11-16(15)20-17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,20,21)/t15-,16-/m1/s1
InChIKeyFNSBOFNSDAPWFR-HZPDHXFCSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoropyrrolidin-3-yl)-4-phenylbenzamide;formic acid
CID 175088163
4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide
CID 25115052
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
N-(2-adamantyl)-4-phenylbenzamide
CID 3608392
N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
N-[(3R,4S)-4-fluoro-1-(4-fluorobenzoyl)pyrrolidin-3-yl]benzamide
CID 175918447
N-(4-methylpiperidin-3-yl)benzamide
CID 63326220
N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 71836746
N-[(2S)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-phenylbenzamide
CID 175179674

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide?
The IUPAC name of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide (CID 140854257) is N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide is O=C(N[C@@H]1CNC[C@H]1F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide?
The InChIKey is FNSBOFNSDAPWFR-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-10-19-11-16(15)20-17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15-16,19H,10-11H2,(H,20,21)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide?
N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide has a molecular weight of 284.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-4-phenylbenzamide is sourced from PubChem (CID 140854257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).