5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide

C17H16ClIN2O — CID 38924649

IUPAC5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1cc(Cl)ccc1I
InChIInChI=1S/C17H16ClIN2O/c18-12-7-8-14(19)13(11-12)17(22)20-15-5-1-2-6-16(15)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)
InChIKeyHMUWTLHUTZJDPX-UHFFFAOYSA-N
MW426.69 g/mol
LogP4.80
Rot. Bonds3

About 5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide

5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 38924649) has the molecular formula C17H16ClIN2O and a molecular weight of 426.69 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID38924649
Molecular FormulaC17H16ClIN2O
Molecular Weight426.69 g/mol
Exact Mass426.00
IUPAC Name5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1cc(Cl)ccc1I
InChIInChI=1S/C17H16ClIN2O/c18-12-7-8-14(19)13(11-12)17(22)20-15-5-1-2-6-16(15)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,22)
InChIKeyHMUWTLHUTZJDPX-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
3,5-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557750
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4003180
3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16557452
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 26900822
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
2,4-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3478464
5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide
CID 86877934
5-chloro-2-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6977940
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
CID 1220386
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide (CID 38924649) is 5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1ccccc1N1CCCC1)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is HMUWTLHUTZJDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClIN2O/c18-12-7-8-14(19)13(11-12)17(22)20-15-5-1-2-6-16(15)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,20,22).
What are the key properties of 5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide?
5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide 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 5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 38924649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).