5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide

C26H26FN3O2 — CID 42755938

IUPAC5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
SMILESCC(NC(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C26H26FN3O2/c1-18(19-8-3-2-4-9-19)28-26(32)23-17-22(12-13-24(23)30-14-5-6-15-30)29-25(31)20-10-7-11-21(27)16-20/h2-4,7-13,16-18H,5-6,14-15H2,1H3,(H,28,32)(H,29,31)
InChIKeyUYSDKHCZUNVSSW-UHFFFAOYSA-N
MW431.51 g/mol
LogP5.17
Rot. Bonds6

About 5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide

5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 42755938) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is 5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID42755938
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC Name5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
SMILESCC(NC(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C26H26FN3O2/c1-18(19-8-3-2-4-9-19)28-26(32)23-17-22(12-13-24(23)30-14-5-6-15-30)29-25(31)20-10-7-11-21(27)16-20/h2-4,7-13,16-18H,5-6,14-15H2,1H3,(H,28,32)(H,29,31)
InChIKeyUYSDKHCZUNVSSW-UHFFFAOYSA-N
XLogP5.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.17
H-Bond Donors ≤ 52
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

2-amino-N-(1-phenylethyl)benzamide
CID 2797236
(S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
CID 2817619
4-[(2-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N-ethyl-N-methylbenzamide
CID 57399426
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 39994248
5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
CID 59401765
5-fluoro-2-methyl-N-[2-methyl-4-[(3S)-3-[(2R)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
CID 59401793
5-fluoro-2-methyl-N-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
CID 59401886
5-fluoro-2-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]benzamide
CID 67401728
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-iodobenzoyl)amino]benzamide
CID 155664128
3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664130
(2-Aminophenyl)(indolin-1-yl)methanone
CID 577461
N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide
CID 579553

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide (CID 42755938) is 5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide is CC(NC(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCCC1)c1ccccc1.
What is the InChIKey of 5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is UYSDKHCZUNVSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-18(19-8-3-2-4-9-19)28-26(32)23-17-22(12-13-24(23)30-14-5-6-15-30)29-25(31)20-10-7-11-21(27)16-20/h2-4,7-13,16-18H,5-6,14-15H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide?
5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 431.51 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorobenzoyl)amino]-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42755938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).