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

C20H21FN4O3 — CID 119129476

IUPAC4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(CNC(N)=O)cc1)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C20H21FN4O3/c1-24(18(26)14-8-6-13(7-9-14)12-23-20(22)28)17-10-11-25(19(17)27)16-5-3-2-4-15(16)21/h2-9,17H,10-12H2,1H3,(H3,22,23,28)
InChIKeyOXPCLBLBLUERBL-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.87
Rot. Bonds5

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

4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide (PubChem CID 119129476) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
PubChem CID119129476
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(CNC(N)=O)cc1)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C20H21FN4O3/c1-24(18(26)14-8-6-13(7-9-14)12-23-20(22)28)17-10-11-25(19(17)27)16-5-3-2-4-15(16)21/h2-9,17H,10-12H2,1H3,(H3,22,23,28)
InChIKeyOXPCLBLBLUERBL-UHFFFAOYSA-N
XLogP1.87
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]furan-2-carboxylic acid
CID 124687628
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
2-anilino-N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
CID 99807453
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide
CID 96527113
2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 129414917
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
CID 120610765
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119785221
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951523
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,1-dimethyl-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 97352449
4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide
CID 47128703
5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
CID 75371035
methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate
CID 97159507

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide (CID 119129476) is 4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide is CN(C(=O)c1ccc(CNC(N)=O)cc1)C1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide?
The InChIKey is OXPCLBLBLUERBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-24(18(26)14-8-6-13(7-9-14)12-23-20(22)28)17-10-11-25(19(17)27)16-5-3-2-4-15(16)21/h2-9,17H,10-12H2,1H3,(H3,22,23,28).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide?
4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide has a molecular weight of 384.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 119129476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).