N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C18H17FN2O2 — CID 3466711

IUPACN-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H17FN2O2/c19-15-8-6-13(7-9-15)12-20-18(23)14-3-1-4-16(11-14)21-10-2-5-17(21)22/h1,3-4,6-9,11H,2,5,10,12H2,(H,20,23)
InChIKeyBGVIKSZZCPJQIH-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.88
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3466711) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3466711
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H17FN2O2/c19-15-8-6-13(7-9-15)12-20-18(23)14-3-1-4-16(11-14)21-10-2-5-17(21)22/h1,3-4,6-9,11H,2,5,10,12H2,(H,20,23)
InChIKeyBGVIKSZZCPJQIH-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
N-[2-(4-fluorophenyl)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110409978
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 3244167
N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119548405

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 3466711) is N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCc1ccc(F)cc1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is BGVIKSZZCPJQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-15-8-6-13(7-9-15)12-20-18(23)14-3-1-4-16(11-14)21-10-2-5-17(21)22/h1,3-4,6-9,11H,2,5,10,12H2,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 312.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3466711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).