2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride

C11H13Cl2IN2O — CID 119451115

IUPAC2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(I)cc1Cl
InChIInChI=1S/C11H12ClIN2O.ClH/c12-10-5-7(13)1-2-9(10)11(16)15-8-3-4-14-6-8;/h1-2,5,8,14H,3-4,6H2,(H,15,16);1H
InChIKeyZZPRVMPOWGXYPN-UHFFFAOYSA-N
MW387.05 g/mol
LogP2.46
Rot. Bonds2

About 2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride

2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119451115) has the molecular formula C11H13Cl2IN2O and a molecular weight of 387.05 g/mol. Its IUPAC name is 2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119451115
Molecular FormulaC11H13Cl2IN2O
Molecular Weight387.05 g/mol
Exact Mass385.94
IUPAC Name2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(I)cc1Cl
InChIInChI=1S/C11H12ClIN2O.ClH/c12-10-5-7(13)1-2-9(10)11(16)15-8-3-4-14-6-8;/h1-2,5,8,14H,3-4,6H2,(H,15,16);1H
InChIKeyZZPRVMPOWGXYPN-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 52.46
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

2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107732166
3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119452044
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883
3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119426879
5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160
5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387157
3-chloro-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107098265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119451115) is 2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCNC1)c1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is ZZPRVMPOWGXYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClIN2O.ClH/c12-10-5-7(13)1-2-9(10)11(16)15-8-3-4-14-6-8;/h1-2,5,8,14H,3-4,6H2,(H,15,16);1H.
What are the key properties of 2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride?
2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 387.05 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119451115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).