N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

C21H21F2N3O2 — CID 75403881

IUPACN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H21F2N3O2/c22-17-12-15(13-18(23)20(17)25-9-1-2-10-25)24-21(28)14-5-7-16(8-6-14)26-11-3-4-19(26)27/h5-8,12-13H,1-4,9-11H2,(H,24,28)
InChIKeyITLVHTKSLKPDET-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.94
Rot. Bonds4

About N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 75403881) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID75403881
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC NameN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H21F2N3O2/c22-17-12-15(13-18(23)20(17)25-9-1-2-10-25)24-21(28)14-5-7-16(8-6-14)26-11-3-4-19(26)27/h5-8,12-13H,1-4,9-11H2,(H,24,28)
InChIKeyITLVHTKSLKPDET-UHFFFAOYSA-N
XLogP3.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
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

4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 134044794
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26908369
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 75403881) is N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ITLVHTKSLKPDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c22-17-12-15(13-18(23)20(17)25-9-1-2-10-25)24-21(28)14-5-7-16(8-6-14)26-11-3-4-19(26)27/h5-8,12-13H,1-4,9-11H2,(H,24,28).
What are the key properties of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 385.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 75403881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).