N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C21H24FN3O2 — CID 55908681

IUPACN-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CCCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1F
InChIInChI=1S/C21H24FN3O2/c1-24(19-10-3-2-9-18(19)22)13-6-12-23-21(27)16-7-4-8-17(15-16)25-14-5-11-20(25)26/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,23,27)
InChIKeyRFSXOLBDFJDXIH-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.21
Rot. Bonds7

About N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55908681) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55908681
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CCCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1F
InChIInChI=1S/C21H24FN3O2/c1-24(19-10-3-2-9-18(19)22)13-6-12-23-21(27)16-7-4-8-17(15-16)25-14-5-11-20(25)26/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,23,27)
InChIKeyRFSXOLBDFJDXIH-UHFFFAOYSA-N
XLogP3.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3561777
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
3-(2-oxopyrrolidin-1-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86928853
4-fluoro-N-[3-(2-fluoro-N-methylanilino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55908423
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 34956402
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 55908681) is N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CN(CCCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1F.
What is the InChIKey of N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is RFSXOLBDFJDXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-24(19-10-3-2-9-18(19)22)13-6-12-23-21(27)16-7-4-8-17(15-16)25-14-5-11-20(25)26/h2-4,7-10,15H,5-6,11-14H2,1H3,(H,23,27).
What are the key properties of N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 369.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55908681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).