5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide

C23H28FN3O2 — CID 42751065

IUPAC5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCCC1
InChIInChI=1S/C23H28FN3O2/c1-16(2)15-25-23(29)20-14-19(9-10-21(20)27-11-3-4-12-27)26-22(28)13-17-5-7-18(24)8-6-17/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeySOIDQZFTOSBZMD-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.99
Rot. Bonds7

About 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide

5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 42751065) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID42751065
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCCC1
InChIInChI=1S/C23H28FN3O2/c1-16(2)15-25-23(29)20-14-19(9-10-21(20)27-11-3-4-12-27)26-22(28)13-17-5-7-18(24)8-6-17/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,25,29)(H,26,28)
InChIKeySOIDQZFTOSBZMD-UHFFFAOYSA-N
XLogP3.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.99
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

N-butan-2-yl-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
CID 3646129
5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 771427
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 42757051
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063328
N-(3-ethoxypropyl)-5-[[2-(4-fluorophenyl)acetyl]amino]-2-piperidin-1-ylbenzamide
CID 3442769
5-(3,3-dimethylbutanoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1063548
5-[[2-(4-fluorophenyl)acetyl]amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propan-2-ylbenzamide
CID 42752794
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 1063091
5-(ethylcarbamoylamino)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 1065616
N-[(4-fluorophenyl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]-5-(propanoylamino)benzamide
CID 42678071
2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)-5-(propanoylamino)benzamide
CID 42751073
N-[(4-fluorophenyl)methyl]-2-[4-(3-methylbutanoyl)-1,4-diazepan-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 42678175

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide (CID 42751065) is 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide is CC(C)CNC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1N1CCCC1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is SOIDQZFTOSBZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-16(2)15-25-23(29)20-14-19(9-10-21(20)27-11-3-4-12-27)26-22(28)13-17-5-7-18(24)8-6-17/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide?
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 397.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 42751065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).