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

C19H20IN3O2 — CID 30495619

IUPAC2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)Nc1ccccc1N1CCCC1
InChIInChI=1S/C19H20IN3O2/c20-15-8-2-1-7-14(15)19(25)21-13-18(24)22-16-9-3-4-10-17(16)23-11-5-6-12-23/h1-4,7-10H,5-6,11-13H2,(H,21,25)(H,22,24)
InChIKeyHBTINMFCGCGSQQ-UHFFFAOYSA-N
MW449.29 g/mol
LogP3.26
Rot. Bonds5

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

2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide (PubChem CID 30495619) has the molecular formula C19H20IN3O2 and a molecular weight of 449.29 g/mol. Its IUPAC name is 2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
PubChem CID30495619
Molecular FormulaC19H20IN3O2
Molecular Weight449.29 g/mol
Exact Mass449.06
IUPAC Name2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)Nc1ccccc1N1CCCC1
InChIInChI=1S/C19H20IN3O2/c20-15-8-2-1-7-14(15)19(25)21-13-18(24)22-16-9-3-4-10-17(16)23-11-5-6-12-23/h1-4,7-10H,5-6,11-13H2,(H,21,25)(H,22,24)
InChIKeyHBTINMFCGCGSQQ-UHFFFAOYSA-N
XLogP3.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 46526099
2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
4-oxo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 55702746
5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide
CID 30495584
2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide
CID 30267909
2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
CID 22831106
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 38924649
2-(2-methoxyethylamino)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 78913422
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide (CID 30495619) is 2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1I)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide?
The InChIKey is HBTINMFCGCGSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O2/c20-15-8-2-1-7-14(15)19(25)21-13-18(24)22-16-9-3-4-10-17(16)23-11-5-6-12-23/h1-4,7-10H,5-6,11-13H2,(H,21,25)(H,22,24).
What are the key properties of 2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide?
2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide has a molecular weight of 449.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide is sourced from PubChem (CID 30495619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).