2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide

C19H19IN2O2 — CID 55715681

IUPAC2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1cccc(NC(=O)c2ccccc2I)c1C(=O)N1CCCC1
InChIInChI=1S/C19H19IN2O2/c1-13-7-6-10-16(17(13)19(24)22-11-4-5-12-22)21-18(23)14-8-2-3-9-15(14)20/h2-3,6-10H,4-5,11-12H2,1H3,(H,21,23)
InChIKeyFYMSRVGLJMPVDX-UHFFFAOYSA-N
MW434.28 g/mol
LogP4.09
Rot. Bonds3

About 2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide

2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 55715681) has the molecular formula C19H19IN2O2 and a molecular weight of 434.28 g/mol. Its IUPAC name is 2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID55715681
Molecular FormulaC19H19IN2O2
Molecular Weight434.28 g/mol
Exact Mass434.05
IUPAC Name2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1cccc(NC(=O)c2ccccc2I)c1C(=O)N1CCCC1
InChIInChI=1S/C19H19IN2O2/c1-13-7-6-10-16(17(13)19(24)22-11-4-5-12-22)21-18(23)14-8-2-3-9-15(14)20/h2-3,6-10H,4-5,11-12H2,1H3,(H,21,23)
InChIKeyFYMSRVGLJMPVDX-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide
CID 55714655
4-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119715803
3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 119715820
4-benzoyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
CID 112826100
4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 47035979
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119285186
5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55776635
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55714348
2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111331876
2-methyl-3-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119715817
2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 49326066

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 55715681) is 2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide is Cc1cccc(NC(=O)c2ccccc2I)c1C(=O)N1CCCC1.
What is the InChIKey of 2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is FYMSRVGLJMPVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN2O2/c1-13-7-6-10-16(17(13)19(24)22-11-4-5-12-22)21-18(23)14-8-2-3-9-15(14)20/h2-3,6-10H,4-5,11-12H2,1H3,(H,21,23).
What are the key properties of 2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 434.28 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 55715681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).