3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide

C11H12ClIN2O — CID 103209637

IUPAC3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H12ClIN2O/c12-9-5-7(1-2-10(9)13)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,16)/t8-/m1/s1
InChIKeyJQSCYXQYDJMFGN-MRVPVSSYSA-N
MW350.59 g/mol
LogP2.04
Rot. Bonds2

About 3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide

3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 103209637) has the molecular formula C11H12ClIN2O and a molecular weight of 350.59 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID103209637
Molecular FormulaC11H12ClIN2O
Molecular Weight350.59 g/mol
Exact Mass349.97
IUPAC Name3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H12ClIN2O/c12-9-5-7(1-2-10(9)13)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,16)/t8-/m1/s1
InChIKeyJQSCYXQYDJMFGN-MRVPVSSYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.59
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide
CID 103866566
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451115
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
3-chloro-4-iodo-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103737055
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 103209637) is 3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CCNC1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is JQSCYXQYDJMFGN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12ClIN2O/c12-9-5-7(1-2-10(9)13)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6H2,(H,15,16)/t8-/m1/s1.
What are the key properties of 3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide?
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 350.59 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 103209637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).