2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

C18H19IN2O — CID 56559405

IUPAC2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)C1
InChIInChI=1S/C18H19IN2O/c1-13-10-11-21(12-13)15-8-6-14(7-9-15)20-18(22)16-4-2-3-5-17(16)19/h2-9,13H,10-12H2,1H3,(H,20,22)
InChIKeyADFBVKIVOUSLEB-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.39
Rot. Bonds3

About 2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (PubChem CID 56559405) has the molecular formula C18H19IN2O and a molecular weight of 406.27 g/mol. Its IUPAC name is 2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
PubChem CID56559405
Molecular FormulaC18H19IN2O
Molecular Weight406.27 g/mol
Exact Mass406.05
IUPAC Name2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)C1
InChIInChI=1S/C18H19IN2O/c1-13-10-11-21(12-13)15-8-6-14(7-9-15)20-18(22)16-4-2-3-5-17(16)19/h2-9,13H,10-12H2,1H3,(H,20,22)
InChIKeyADFBVKIVOUSLEB-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
2-hydroxy-5-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559329
2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559113
2-cyclopentylsulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 56556209
2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 60600795
3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 56556195
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 2945842
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 56556157
1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56557962
N-[4-(cyclopropylsulfonylamino)phenyl]-2-iodobenzamide
CID 175183969
1-(2-methylphenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56556088
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 56555924

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (CID 56559405) is 2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is CC1CCN(c2ccc(NC(=O)c3ccccc3I)cc2)C1.
What is the InChIKey of 2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is ADFBVKIVOUSLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O/c1-13-10-11-21(12-13)15-8-6-14(7-9-15)20-18(22)16-4-2-3-5-17(16)19/h2-9,13H,10-12H2,1H3,(H,20,22).
What are the key properties of 2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 406.27 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 56559405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).