N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide

C21H21FN2O2 — CID 55920117

IUPACN-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccccc1F)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H21FN2O2/c1-2-12-23(15-17-7-3-4-10-19(17)22)21(26)16-8-5-9-18(14-16)24-13-6-11-20(24)25/h2-5,7-10,14H,1,6,11-13,15H2
InChIKeyJYGPGCASNJGBRN-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.78
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide

N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide (PubChem CID 55920117) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide
PubChem CID55920117
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccccc1F)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H21FN2O2/c1-2-12-23(15-17-7-3-4-10-19(17)22)21(26)16-8-5-9-18(14-16)24-13-6-11-20(24)25/h2-5,7-10,14H,1,6,11-13,15H2
InChIKeyJYGPGCASNJGBRN-UHFFFAOYSA-N
XLogP3.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78813579
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2-fluorophenyl)acetate
CID 8958198
N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 29213246
N-[2-(2-fluorophenyl)ethyl]-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55779188
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
1-[(2-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100763457
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9157257
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46513080
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55908681

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide (CID 55920117) is N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide is C=CCN(Cc1ccccc1F)C(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide?
The InChIKey is JYGPGCASNJGBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-2-12-23(15-17-7-3-4-10-19(17)22)21(26)16-8-5-9-18(14-16)24-13-6-11-20(24)25/h2-5,7-10,14H,1,6,11-13,15H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide?
N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide has a molecular weight of 352.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 55920117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).