N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide

C17H16ClIN2O — CID 1220386

IUPACN-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1I
InChIInChI=1S/C17H16ClIN2O/c18-14-11-12(7-8-16(14)21-9-3-4-10-21)20-17(22)13-5-1-2-6-15(13)19/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)
InChIKeyIZMHDPDILQVZFL-UHFFFAOYSA-N
MW426.69 g/mol
LogP4.80
Rot. Bonds3

About N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide

N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide (PubChem CID 1220386) has the molecular formula C17H16ClIN2O and a molecular weight of 426.69 g/mol. Its IUPAC name is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
PubChem CID1220386
Molecular FormulaC17H16ClIN2O
Molecular Weight426.69 g/mol
Exact Mass426.00
IUPAC NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1I
InChIInChI=1S/C17H16ClIN2O/c18-14-11-12(7-8-16(14)21-9-3-4-10-21)20-17(22)13-5-1-2-6-15(13)19/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)
InChIKeyIZMHDPDILQVZFL-UHFFFAOYSA-N
XLogP4.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.69
LogP ≤ 54.80
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'}

Analyze N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide 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

5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)naphthalene-1-carboxamide
CID 29244386
N-[3-chloro-4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-iodobenzamide
CID 43914154
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
N-(3-chloro-4-fluorophenyl)-2-iodobenzamide
CID 615783
2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
N-(4-chloro-3-fluorophenyl)-2-iodobenzamide
CID 47227907
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-iodobenzamide
CID 17317556
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
2-chloro-N-[3-[(4-methylphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide
CID 46326597
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1333473
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
CID 1312112

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide?
The IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide (CID 1220386) is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide.
What is the SMILES notation for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide?
The canonical SMILES for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide is O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1I.
What is the InChIKey of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide?
The InChIKey is IZMHDPDILQVZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClIN2O/c18-14-11-12(7-8-16(14)21-9-3-4-10-21)20-17(22)13-5-1-2-6-15(13)19/h1-2,5-8,11H,3-4,9-10H2,(H,20,22).
What are the key properties of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide?
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide has a molecular weight of 426.69 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide is sourced from PubChem (CID 1220386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).