4-iodo-N-pyrrol-1-ylbenzamide

C11H9IN2O — CID 79107507

IUPAC4-iodo-N-pyrrol-1-ylbenzamide
SMILESO=C(Nn1cccc1)c1ccc(I)cc1
InChIInChI=1S/C11H9IN2O/c12-10-5-3-9(4-6-10)11(15)13-14-7-1-2-8-14/h1-8H,(H,13,15)
InChIKeySOXQSLUBDWAQAD-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.48
Rot. Bonds2

About 4-iodo-N-pyrrol-1-ylbenzamide

4-iodo-N-pyrrol-1-ylbenzamide (PubChem CID 79107507) has the molecular formula C11H9IN2O and a molecular weight of 312.11 g/mol. Its IUPAC name is 4-iodo-N-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name4-iodo-N-pyrrol-1-ylbenzamide
PubChem CID79107507
Molecular FormulaC11H9IN2O
Molecular Weight312.11 g/mol
Exact Mass311.98
IUPAC Name4-iodo-N-pyrrol-1-ylbenzamide
SMILESO=C(Nn1cccc1)c1ccc(I)cc1
InChIInChI=1S/C11H9IN2O/c12-10-5-3-9(4-6-10)11(15)13-14-7-1-2-8-14/h1-8H,(H,13,15)
InChIKeySOXQSLUBDWAQAD-UHFFFAOYSA-N
XLogP2.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide
CID 87933857
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
5-chloro-2-iodo-N-pyrrol-1-ylbenzamide
CID 103740512
5-bromo-2-iodo-N-pyrrol-1-ylbenzamide
CID 103739975
4-iodobenzoic acid;nickel
CID 54603201
N-dichlorophosphoryl-4-iodobenzamide
CID 165356535
bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
1,3-bis(4-iodophenyl)propane-1,3-dione
CID 15256965
4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 63525460
N-(2-amino-2-oxoethyl)-4-iodobenzamide
CID 60668486
4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 78909417
3-bromo-N-pyrrol-1-ylprop-2-ynamide
CID 130775661

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-pyrrol-1-ylbenzamide?
The IUPAC name of 4-iodo-N-pyrrol-1-ylbenzamide (CID 79107507) is 4-iodo-N-pyrrol-1-ylbenzamide.
What is the SMILES notation for 4-iodo-N-pyrrol-1-ylbenzamide?
The canonical SMILES for 4-iodo-N-pyrrol-1-ylbenzamide is O=C(Nn1cccc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-pyrrol-1-ylbenzamide?
The InChIKey is SOXQSLUBDWAQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O/c12-10-5-3-9(4-6-10)11(15)13-14-7-1-2-8-14/h1-8H,(H,13,15).
What are the key properties of 4-iodo-N-pyrrol-1-ylbenzamide?
4-iodo-N-pyrrol-1-ylbenzamide has a molecular weight of 312.11 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-pyrrol-1-ylbenzamide is sourced from PubChem (CID 79107507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).