5-chloro-2-iodo-N-pyrrol-1-ylbenzamide

C11H8ClIN2O — CID 103740512

IUPAC5-chloro-2-iodo-N-pyrrol-1-ylbenzamide
SMILESO=C(Nn1cccc1)c1cc(Cl)ccc1I
InChIInChI=1S/C11H8ClIN2O/c12-8-3-4-10(13)9(7-8)11(16)14-15-5-1-2-6-15/h1-7H,(H,14,16)
InChIKeyJNINSWGKBVQPCI-UHFFFAOYSA-N
MW346.56 g/mol
LogP3.13
Rot. Bonds2

About 5-chloro-2-iodo-N-pyrrol-1-ylbenzamide

5-chloro-2-iodo-N-pyrrol-1-ylbenzamide (PubChem CID 103740512) has the molecular formula C11H8ClIN2O and a molecular weight of 346.56 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-pyrrol-1-ylbenzamide
PubChem CID103740512
Molecular FormulaC11H8ClIN2O
Molecular Weight346.56 g/mol
Exact Mass345.94
IUPAC Name5-chloro-2-iodo-N-pyrrol-1-ylbenzamide
SMILESO=C(Nn1cccc1)c1cc(Cl)ccc1I
InChIInChI=1S/C11H8ClIN2O/c12-8-3-4-10(13)9(7-8)11(16)14-15-5-1-2-6-15/h1-7H,(H,14,16)
InChIKeyJNINSWGKBVQPCI-UHFFFAOYSA-N
XLogP3.13
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 53.13
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

5-bromo-2-iodo-N-pyrrol-1-ylbenzamide
CID 103739975
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
5-chloro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626498
5-bromo-2-fluoro-N-pyrrol-1-ylbenzamide
CID 79107621
5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
CID 107342948
(2S)-2-[(5-chloro-2-iodobenzoyl)amino]-3-methylbutanoic acid
CID 103804174
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-iodobenzamide
CID 104693585
(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid
CID 103804402
5-chloro-2-iodo-N-(1-methylcyclopropyl)benzamide
CID 103677274
5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 38924649
5-chloro-N-(3-hydroxy-2-pyridinyl)-2-iodobenzamide
CID 52875609
5-chloro-2-iodo-N-pyridin-3-ylbenzamide
CID 47188812

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-pyrrol-1-ylbenzamide?
The IUPAC name of 5-chloro-2-iodo-N-pyrrol-1-ylbenzamide (CID 103740512) is 5-chloro-2-iodo-N-pyrrol-1-ylbenzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-pyrrol-1-ylbenzamide?
The canonical SMILES for 5-chloro-2-iodo-N-pyrrol-1-ylbenzamide is O=C(Nn1cccc1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodo-N-pyrrol-1-ylbenzamide?
The InChIKey is JNINSWGKBVQPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClIN2O/c12-8-3-4-10(13)9(7-8)11(16)14-15-5-1-2-6-15/h1-7H,(H,14,16).
What are the key properties of 5-chloro-2-iodo-N-pyrrol-1-ylbenzamide?
5-chloro-2-iodo-N-pyrrol-1-ylbenzamide has a molecular weight of 346.56 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-pyrrol-1-ylbenzamide is sourced from PubChem (CID 103740512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).