4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride

C12H15Cl2IN2O2 — CID 120945283

IUPAC4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C12H14ClIN2O2.ClH/c13-9-2-1-7(3-10(9)14)12(18)16-5-8-4-15-6-11(8)17;/h1-3,8,11,15,17H,4-6H2,(H,16,18);1H
InChIKeyWRZCVPONUUEEGQ-UHFFFAOYSA-N
MW417.07 g/mol
LogP1.68
Rot. Bonds3

About 4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride

4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride (PubChem CID 120945283) has the molecular formula C12H15Cl2IN2O2 and a molecular weight of 417.07 g/mol. Its IUPAC name is 4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride
PubChem CID120945283
Molecular FormulaC12H15Cl2IN2O2
Molecular Weight417.07 g/mol
Exact Mass415.96
IUPAC Name4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C12H14ClIN2O2.ClH/c13-9-2-1-7(3-10(9)14)12(18)16-5-8-4-15-6-11(8)17;/h1-3,8,11,15,17H,4-6H2,(H,16,18);1H
InChIKeyWRZCVPONUUEEGQ-UHFFFAOYSA-N
XLogP1.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.07
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride 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-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-iodobenzamide;hydrochloride
CID 120944879
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 120944561
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-iodo-5-methylbenzamide;hydrochloride
CID 120948282
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 120943158
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 120947929
1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947316
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 120943236
3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103736731

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride (CID 120945283) is 4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1ccc(Cl)c(I)c1.
What is the InChIKey of 4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride?
The InChIKey is WRZCVPONUUEEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN2O2.ClH/c13-9-2-1-7(3-10(9)14)12(18)16-5-8-4-15-6-11(8)17;/h1-3,8,11,15,17H,4-6H2,(H,16,18);1H.
What are the key properties of 4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride?
4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride has a molecular weight of 417.07 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride is sourced from PubChem (CID 120945283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).