2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide

C20H23N3O2 — CID 46526099

IUPAC2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C20H23N3O2/c1-15-8-2-3-9-16(15)20(25)21-14-19(24)22-17-10-4-5-11-18(17)23-12-6-7-13-23/h2-5,8-11H,6-7,12-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyFVLNPVXUUUHSGX-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.96
Rot. Bonds5

About 2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide

2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide (PubChem CID 46526099) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
PubChem CID46526099
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C20H23N3O2/c1-15-8-2-3-9-16(15)20(25)21-14-19(24)22-17-10-4-5-11-18(17)23-12-6-7-13-23/h2-5,8-11H,6-7,12-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyFVLNPVXUUUHSGX-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
CID 22831106
2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 30495619
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide
CID 30495584
4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 55702746
2-(2-methoxyethylamino)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 78913422
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2236832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide (CID 46526099) is 2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide is Cc1ccccc1C(=O)NCC(=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide?
The InChIKey is FVLNPVXUUUHSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-8-2-3-9-16(15)20(25)21-14-19(24)22-17-10-4-5-11-18(17)23-12-6-7-13-23/h2-5,8-11H,6-7,12-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide?
2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide is sourced from PubChem (CID 46526099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).